methyl-[(3S)-1-(1-oxidanidylpyridin-1-ium-4-yl)carbonylpiperidin-3-yl]-(phenylmethyl)azanium

Systemtic Name: methyl-[(3S)-1-(1-oxidanidylpyridin-1-ium-4-yl)carbonylpiperidin-3-yl]-(phenylmethyl)azanium Openeye Name: benzyl-methyl-[(3S)-1-(1-oxidopyridin-1-ium-4-carbonyl)-3-piperidyl]ammonium CAS Name: methyl-[(3S)-1-[(1-oxido-4-pyridin-1-iumyl)-oxomethyl]-3-piperidinyl]-(phenylmethyl)ammonium IUPAC Name: benzyl-methyl-[(3S)-1-(1-oxidopyridin-1-ium-4-carbonyl)piperidin-3-yl]azanium Traditional Name: benzyl-methyl-[(3S)-1-(1-oxidopyridin-1-ium-4-carbonyl)-3-piperidyl]ammonium Formula: C19H24N3O2+ MolecularWeight: 326.41276

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](CC1=CC=CC=C1)C2CCCN(C2)C(=O)C3=CC=[N+](C=C3)[O-]

Isomeric SMILES

C[NH+](CC1=CC=CC=C1)[C@H]2CCCN(C2)C(=O)C3=CC=[N+](C=C3)[O-]

InChI

InChI=1S/C19H23N3O2/c1-20(14-16-6-3-2-4-7-16)18-8-5-11-21(15-18)19(23)17-9-12-22(24)13-10-17/h2-4,6-7,9-10,12-13,18H,5,8,11,14-15H2,1H3/p+1/t18-/m0/s1