1-[(2-chlorophenyl)methyl]-N-(3-imidazol-1-ylpropyl)piperidin-1-ium-4-carboxamide

Systemtic Name: 1-[(2-chlorophenyl)methyl]-N-(3-imidazol-1-ylpropyl)piperidin-1-ium-4-carboxamide Openeye Name: 1-[(2-chlorophenyl)methyl]-N-(3-imidazol-1-ylpropyl)piperidin-1-ium-4-carboxamide CAS Name: 1-[(2-chlorophenyl)methyl]-N-[3-(1-imidazolyl)propyl]-4-piperidin-1-iumcarboxamide IUPAC Name: 1-[(2-chlorophenyl)methyl]-N-(3-imidazol-1-ylpropyl)piperidin-1-ium-4-carboxamide Traditional Name: 1-(2-chlorobenzyl)-N-(3-imidazol-1-ylpropyl)piperidin-1-ium-4-carboxamide Formula: C19H26ClN4O+ MolecularWeight: 361.88894

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CCC1C(=O)NCCCN2C=CN=C2)CC3=CC=CC=C3Cl

Isomeric SMILES

C1C[NH+](CCC1C(=O)NCCCN2C=CN=C2)CC3=CC=CC=C3Cl

InChI

InChI=1S/C19H25ClN4O/c20-18-5-2-1-4-17(18)14-23-11-6-16(7-12-23)19(25)22-8-3-10-24-13-9-21-15-24/h1-2,4-5,9,13,15-16H,3,6-8,10-12,14H2,(H,22,25)/p+1