3-[[[1-[1-(2,4-dimethyl-1-oxidanidyl-pyridin-1-ium-3-yl)carbonyl-4-methyl-piperidin-4-yl]piperidin-4-yl]-phenyl-amino]methyl]benzenecarbonitrile

Systemtic Name: 3-[[[1-[1-(2,4-dimethyl-1-oxidanidyl-pyridin-1-ium-3-yl)carbonyl-4-methyl-piperidin-4-yl]piperidin-4-yl]-phenyl-amino]methyl]benzenecarbonitrile Openeye Name: 3-[(N-[1-[1-(2,4-dimethyl-1-oxido-pyridin-1-ium-3-carbonyl)-4-methyl-4-piperidyl]-4-piperidyl]anilino)methyl]benzonitrile CAS Name: 3-[(N-[1-[1-[(2,4-dimethyl-1-oxido-3-pyridin-1-iumyl)-oxomethyl]-4-methyl-4-piperidinyl]-4-piperidinyl]anilino)methyl]benzonitrile IUPAC Name: 3-[(N-[1-[1-(2,4-dimethyl-1-oxidopyridin-1-ium-3-carbonyl)-4-methylpiperidin-4-yl]piperidin-4-yl]anilino)methyl]benzonitrile Traditional Name: 3-[(N-[1-[1-(2,4-dimethyl-1-oxido-pyridin-1-ium-3-carbonyl)-4-methyl-4-piperidyl]-4-piperidyl]anilino)methyl]benzonitrile Formula: C33H39N5O2 MolecularWeight: 537.69506

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=[N+](C=C1)[O-])C)C(=O)N2CCC(CC2)(C)N3CCC(CC3)N(CC4=CC=CC(=C4)C#N)C5=CC=CC=C5

Isomeric SMILES

CC1=C(C(=[N+](C=C1)[O-])C)C(=O)N2CCC(CC2)(C)N3CCC(CC3)N(CC4=CC=CC(=C4)C#N)C5=CC=CC=C5

InChI

InChI=1S/C33H39N5O2/c1-25-12-19-38(40)26(2)31(25)32(39)35-20-15-33(3,16-21-35)36-17-13-30(14-18-36)37(29-10-5-4-6-11-29)24-28-9-7-8-27(22-28)23-34/h4-12,19,22,30H,13-18,20-21,24H2,1-3H3