(3-chlorophenyl)-[4-[1-(phenylmethyl)piperidin-1-ium-4-yl]piperazin-4-ium-1-yl]methanone

Systemtic Name: (3-chlorophenyl)-[4-[1-(phenylmethyl)piperidin-1-ium-4-yl]piperazin-4-ium-1-yl]methanone Openeye Name: [4-(1-benzylpiperidin-1-ium-4-yl)piperazin-4-ium-1-yl]-(3-chlorophenyl)methanone CAS Name: (3-chlorophenyl)-[4-[1-(phenylmethyl)-4-piperidin-1-iumyl]-1-piperazin-4-iumyl]methanone IUPAC Name: [4-(1-benzylpiperidin-1-ium-4-yl)piperazin-4-ium-1-yl]-(3-chlorophenyl)methanone Traditional Name: [4-(1-benzylpiperidin-1-ium-4-yl)piperazin-4-ium-1-yl]-(3-chlorophenyl)methanone Formula: C23H30ClN3O+2 MolecularWeight: 399.9568

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CCC1[NH+]2CCN(CC2)C(=O)C3=CC(=CC=C3)Cl)CC4=CC=CC=C4

Isomeric SMILES

C1C[NH+](CCC1[NH+]2CCN(CC2)C(=O)C3=CC(=CC=C3)Cl)CC4=CC=CC=C4

InChI

InChI=1S/C23H28ClN3O/c24-21-8-4-7-20(17-21)23(28)27-15-13-26(14-16-27)22-9-11-25(12-10-22)18-19-5-2-1-3-6-19/h1-8,17,22H,9-16,18H2/p+2