[1-(4-chlorophenyl)carbonylpiperidin-4-yl]-(4-pyridin-1-ium-4-ylpiperazin-1-yl)methanone

Systemtic Name: [1-(4-chlorophenyl)carbonylpiperidin-4-yl]-(4-pyridin-1-ium-4-ylpiperazin-1-yl)methanone Openeye Name: [1-(4-chlorobenzoyl)-4-piperidyl]-(4-pyridin-1-ium-4-ylpiperazin-1-yl)methanone CAS Name: [1-[(4-chlorophenyl)-oxomethyl]-4-piperidinyl]-[4-(4-pyridin-1-iumyl)-1-piperazinyl]methanone IUPAC Name: [1-(4-chlorobenzoyl)piperidin-4-yl]-(4-pyridin-1-ium-4-ylpiperazin-1-yl)methanone Traditional Name: [1-(4-chlorobenzoyl)-4-piperidyl]-(4-pyridin-1-ium-4-ylpiperazino)methanone Formula: C22H26ClN4O2+ MolecularWeight: 413.92044

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(=O)N2CCN(CC2)C3=CC=[NH+]C=C3)C(=O)C4=CC=C(C=C4)Cl

Isomeric SMILES

C1CN(CCC1C(=O)N2CCN(CC2)C3=CC=[NH+]C=C3)C(=O)C4=CC=C(C=C4)Cl

InChI

InChI=1S/C22H25ClN4O2/c23-19-3-1-17(2-4-19)21(28)26-11-7-18(8-12-26)22(29)27-15-13-25(14-16-27)20-5-9-24-10-6-20/h1-6,9-10,18H,7-8,11-16H2/p+1