(3S)-N-[4-(3-methoxyphenyl)phenyl]-1-[(1-methylimidazol-2-yl)methyl]piperidin-1-ium-3-carboxamide

Systemtic Name: (3S)-N-[4-(3-methoxyphenyl)phenyl]-1-[(1-methylimidazol-2-yl)methyl]piperidin-1-ium-3-carboxamide Openeye Name: (3S)-N-[4-(3-methoxyphenyl)phenyl]-1-[(1-methylimidazol-2-yl)methyl]piperidin-1-ium-3-carboxamide CAS Name: (3S)-N-[4-(3-methoxyphenyl)phenyl]-1-[(1-methyl-2-imidazolyl)methyl]-3-piperidin-1-iumcarboxamide IUPAC Name: (3S)-N-[4-(3-methoxyphenyl)phenyl]-1-[(1-methylimidazol-2-yl)methyl]piperidin-1-ium-3-carboxamide Traditional Name: (3S)-N-[4-(3-methoxyphenyl)phenyl]-1-[(1-methylimidazol-2-yl)methyl]piperidin-1-ium-3-carboxamide Formula: C24H29N4O2+ MolecularWeight: 405.51266

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=CN=C1C[NH+]2CCCC(C2)C(=O)NC3=CC=C(C=C3)C4=CC(=CC=C4)OC

Isomeric SMILES

CN1C=CN=C1C[NH+]2CCC[C@@H](C2)C(=O)NC3=CC=C(C=C3)C4=CC(=CC=C4)OC

InChI

InChI=1S/C24H28N4O2/c1-27-14-12-25-23(27)17-28-13-4-6-20(16-28)24(29)26-21-10-8-18(9-11-21)19-5-3-7-22(15-19)30-2/h3,5,7-12,14-15,20H,4,6,13,16-17H2,1-2H3,(H,26,29)/p+1/t20-/m0/s1