1-[2-[4-(diphenylmethyl)piperazin-4-ium-1-yl]-2-oxidanylidene-ethyl]azepan-2-one

Systemtic Name: 1-[2-[4-(diphenylmethyl)piperazin-4-ium-1-yl]-2-oxidanylidene-ethyl]azepan-2-one Openeye Name: 1-[2-(4-benzhydrylpiperazin-4-ium-1-yl)-2-oxo-ethyl]azepan-2-one CAS Name: 1-[2-[4-(diphenylmethyl)-1-piperazin-4-iumyl]-2-oxoethyl]-2-azepanone IUPAC Name: 1-[2-(4-benzhydrylpiperazin-4-ium-1-yl)-2-oxoethyl]azepan-2-one Traditional Name: 1-[2-(4-benzhydrylpiperazin-4-ium-1-yl)-2-keto-ethyl]azepan-2-one Formula: C25H32N3O2+ MolecularWeight: 406.54048

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(=O)N(CC1)CC(=O)N2CC[NH+](CC2)C(C3=CC=CC=C3)C4=CC=CC=C4

Isomeric SMILES

C1CCC(=O)N(CC1)CC(=O)N2CC[NH+](CC2)C(C3=CC=CC=C3)C4=CC=CC=C4

InChI

InChI=1S/C25H31N3O2/c29-23-14-8-3-9-15-28(23)20-24(30)26-16-18-27(19-17-26)25(21-10-4-1-5-11-21)22-12-6-2-7-13-22/h1-2,4-7,10-13,25H,3,8-9,14-20H2/p+1