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

Systemtic Name: [4-[(3-chlorophenyl)methyl]piperazin-1-yl]-[1-[(1-oxidanylpyridin-1-ium-4-yl)methyl]piperidin-4-yl]methanone Openeye Name: [4-[(3-chlorophenyl)methyl]piperazin-1-yl]-[1-[(1-hydroxypyridin-1-ium-4-yl)methyl]-4-piperidyl]methanone CAS Name: [4-[(3-chlorophenyl)methyl]-1-piperazinyl]-[1-[(1-hydroxy-4-pyridin-1-iumyl)methyl]-4-piperidinyl]methanone IUPAC Name: [4-[(3-chlorophenyl)methyl]piperazin-1-yl]-[1-[(1-hydroxypyridin-1-ium-4-yl)methyl]piperidin-4-yl]methanone Traditional Name: [4-(3-chlorobenzyl)piperazino]-[1-[(1-hydroxypyridin-1-ium-4-yl)methyl]-4-piperidyl]methanone Formula: C23H30ClN4O2+ MolecularWeight: 429.9629

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(=O)N2CCN(CC2)CC3=CC(=CC=C3)Cl)CC4=CC=[N+](C=C4)O

Isomeric SMILES

C1CN(CCC1C(=O)N2CCN(CC2)CC3=CC(=CC=C3)Cl)CC4=CC=[N+](C=C4)O

InChI

InChI=1S/C23H30ClN4O2/c24-22-3-1-2-20(16-22)18-26-12-14-27(15-13-26)23(29)21-6-8-25(9-7-21)17-19-4-10-28(30)11-5-19/h1-5,10-11,16,21,30H,6-9,12-15,17-18H2/q+1