4-[(2-chlorophenyl)methyl]-1-[1-(phenylmethyl)piperidin-1-ium-4-yl]-1,4-diazepan-5-one

Systemtic Name: 4-[(2-chlorophenyl)methyl]-1-[1-(phenylmethyl)piperidin-1-ium-4-yl]-1,4-diazepan-5-one Openeye Name: 1-(1-benzylpiperidin-1-ium-4-yl)-4-[(2-chlorophenyl)methyl]-1,4-diazepan-5-one CAS Name: 4-[(2-chlorophenyl)methyl]-1-[1-(phenylmethyl)-4-piperidin-1-iumyl]-1,4-diazepan-5-one IUPAC Name: 1-(1-benzylpiperidin-1-ium-4-yl)-4-[(2-chlorophenyl)methyl]-1,4-diazepan-5-one Traditional Name: 1-(1-benzylpiperidin-1-ium-4-yl)-4-(2-chlorobenzyl)-1,4-diazepan-5-one Formula: C24H31ClN3O+ MolecularWeight: 412.97544

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CCC1N2CCC(=O)N(CC2)CC3=CC=CC=C3Cl)CC4=CC=CC=C4

Isomeric SMILES

C1C[NH+](CCC1N2CCC(=O)N(CC2)CC3=CC=CC=C3Cl)CC4=CC=CC=C4

InChI

InChI=1S/C24H30ClN3O/c25-23-9-5-4-8-21(23)19-28-17-16-27(15-12-24(28)29)22-10-13-26(14-11-22)18-20-6-2-1-3-7-20/h1-9,22H,10-19H2/p+1