(1,3-diphenylpyrazol-4-yl)methyl-[2-[(1-ethylpiperidin-1-ium-4-yl)amino]-2-oxidanylidene-ethyl]-methyl-azanium

Systemtic Name: (1,3-diphenylpyrazol-4-yl)methyl-[2-[(1-ethylpiperidin-1-ium-4-yl)amino]-2-oxidanylidene-ethyl]-methyl-azanium Openeye Name: (1,3-diphenylpyrazol-4-yl)methyl-[2-[(1-ethylpiperidin-1-ium-4-yl)amino]-2-oxo-ethyl]-methyl-ammonium CAS Name: (1,3-diphenyl-4-pyrazolyl)methyl-[2-[(1-ethyl-4-piperidin-1-iumyl)amino]-2-oxoethyl]-methylammonium IUPAC Name: (1,3-diphenylpyrazol-4-yl)methyl-[2-[(1-ethylpiperidin-1-ium-4-yl)amino]-2-oxoethyl]-methylazanium Traditional Name: (1,3-diphenylpyrazol-4-yl)methyl-[2-[(1-ethylpiperidin-1-ium-4-yl)amino]-2-keto-ethyl]-methyl-ammonium Formula: C26H35N5O+2 MolecularWeight: 433.589

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+]1CCC(CC1)NC(=O)C[NH+](C)CC2=CN(N=C2C3=CC=CC=C3)C4=CC=CC=C4

Isomeric SMILES

CC[NH+]1CCC(CC1)NC(=O)C[NH+](C)CC2=CN(N=C2C3=CC=CC=C3)C4=CC=CC=C4

InChI

InChI=1S/C26H33N5O/c1-3-30-16-14-23(15-17-30)27-25(32)20-29(2)18-22-19-31(24-12-8-5-9-13-24)28-26(22)21-10-6-4-7-11-21/h4-13,19,23H,3,14-18,20H2,1-2H3,(H,27,32)/p+2