2-[(4-chlorophenyl)carbonylamino]ethyl-[1-(phenylmethyl)piperidin-1-ium-4-yl]azanium

Systemtic Name: 2-[(4-chlorophenyl)carbonylamino]ethyl-[1-(phenylmethyl)piperidin-1-ium-4-yl]azanium Openeye Name: (1-benzylpiperidin-1-ium-4-yl)-[2-[(4-chlorobenzoyl)amino]ethyl]ammonium CAS Name: 2-[[(4-chlorophenyl)-oxomethyl]amino]ethyl-[1-(phenylmethyl)-4-piperidin-1-iumyl]ammonium IUPAC Name: (1-benzylpiperidin-1-ium-4-yl)-[2-[(4-chlorobenzoyl)amino]ethyl]azanium Traditional Name: (1-benzylpiperidin-1-ium-4-yl)-[2-[(4-chlorobenzoyl)amino]ethyl]ammonium Formula: C21H28ClN3O+2 MolecularWeight: 373.91952

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CCC1[NH2+]CCNC(=O)C2=CC=C(C=C2)Cl)CC3=CC=CC=C3

Isomeric SMILES

C1C[NH+](CCC1[NH2+]CCNC(=O)C2=CC=C(C=C2)Cl)CC3=CC=CC=C3

InChI

InChI=1S/C21H26ClN3O/c22-19-8-6-18(7-9-19)21(26)24-13-12-23-20-10-14-25(15-11-20)16-17-4-2-1-3-5-17/h1-9,20,23H,10-16H2,(H,24,26)/p+2