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

Systemtic Name: (3S)-1-[(1-ethylimidazol-2-yl)methyl]-N-[4-(3-methoxyphenyl)phenyl]piperidin-1-ium-3-carboxamide Openeye Name: (3S)-1-[(1-ethylimidazol-2-yl)methyl]-N-[4-(3-methoxyphenyl)phenyl]piperidin-1-ium-3-carboxamide CAS Name: (3S)-1-[(1-ethyl-2-imidazolyl)methyl]-N-[4-(3-methoxyphenyl)phenyl]-3-piperidin-1-iumcarboxamide IUPAC Name: (3S)-1-[(1-ethylimidazol-2-yl)methyl]-N-[4-(3-methoxyphenyl)phenyl]piperidin-1-ium-3-carboxamide Traditional Name: (3S)-1-[(1-ethylimidazol-2-yl)methyl]-N-[4-(3-methoxyphenyl)phenyl]piperidin-1-ium-3-carboxamide Formula: C25H31N4O2+ MolecularWeight: 419.53924

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C=CN=C1C[NH+]2CCCC(C2)C(=O)NC3=CC=C(C=C3)C4=CC(=CC=C4)OC

Isomeric SMILES

CCN1C=CN=C1C[NH+]2CCC[C@@H](C2)C(=O)NC3=CC=C(C=C3)C4=CC(=CC=C4)OC

InChI

InChI=1S/C25H30N4O2/c1-3-29-15-13-26-24(29)18-28-14-5-7-21(17-28)25(30)27-22-11-9-19(10-12-22)20-6-4-8-23(16-20)31-2/h4,6,8-13,15-16,21H,3,5,7,14,17-18H2,1-2H3,(H,27,30)/p+1/t21-/m0/s1