1-[2-[3-[(4-cyanophenyl)methyl]imidazol-4-yl]ethyl]-1-phenyl-piperidin-1-ium-4-carboxamide hydrochloride

Systemtic Name: 1-[2-[3-[(4-cyanophenyl)methyl]imidazol-4-yl]ethyl]-1-phenyl-piperidin-1-ium-4-carboxamide hydrochloride Openeye Name: 1-[2-[3-[(4-cyanophenyl)methyl]imidazol-4-yl]ethyl]-1-phenyl-piperidin-1-ium-4-carboxamide hydrochloride CAS Name: 1-[2-[3-[(4-cyanophenyl)methyl]-4-imidazolyl]ethyl]-1-phenyl-4-piperidin-1-iumcarboxamide hydrochloride IUPAC Name: 1-[2-[3-[(4-cyanophenyl)methyl]imidazol-4-yl]ethyl]-1-phenylpiperidin-1-ium-4-carboxamide hydrochloride Traditional Name: 1-[2-[3-(4-cyanobenzyl)imidazol-4-yl]ethyl]-1-phenyl-piperidin-1-ium-4-carboxamide hydrochloride Formula: C25H29ClN5O+ MolecularWeight: 450.98366

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Descriptors Computed from Structure

Canonical SMILES:

C1C[N+](CCC1C(=O)N)(CCC2=CN=CN2CC3=CC=C(C=C3)C#N)C4=CC=CC=C4.Cl

Isomeric SMILES

C1C[N+](CCC1C(=O)N)(CCC2=CN=CN2CC3=CC=C(C=C3)C#N)C4=CC=CC=C4.Cl

InChI

InChI=1S/C25H27N5O.ClH/c26-16-20-6-8-21(9-7-20)18-29-19-28-17-23(29)12-15-30(24-4-2-1-3-5-24)13-10-22(11-14-30)25(27)31;/h1-9,17,19,22H,10-15,18H2,(H-,27,31);1H/p+1