(3R)-3-[2-(azepan-1-yl)-2-oxidanylidene-ethyl]-4-(2,2-diphenylethyl)piperazin-4-ium-2-one

Systemtic Name: (3R)-3-[2-(azepan-1-yl)-2-oxidanylidene-ethyl]-4-(2,2-diphenylethyl)piperazin-4-ium-2-one Openeye Name: (3R)-3-[2-(azepan-1-yl)-2-oxo-ethyl]-4-(2,2-diphenylethyl)piperazin-4-ium-2-one CAS Name: (3R)-3-[2-(1-azepanyl)-2-oxoethyl]-4-(2,2-diphenylethyl)-2-piperazin-4-iumone IUPAC Name: (3R)-3-[2-(azepan-1-yl)-2-oxoethyl]-4-(2,2-diphenylethyl)piperazin-4-ium-2-one Traditional Name: (3R)-3-[2-(azepan-1-yl)-2-keto-ethyl]-4-(2,2-diphenylethyl)piperazin-4-ium-2-one Formula: C26H34N3O2+ MolecularWeight: 420.56706

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C(=O)CC2C(=O)NCC[NH+]2CC(C3=CC=CC=C3)C4=CC=CC=C4

Isomeric SMILES

C1CCCN(CC1)C(=O)C[C@@H]2C(=O)NCC[NH+]2CC(C3=CC=CC=C3)C4=CC=CC=C4

InChI

InChI=1S/C26H33N3O2/c30-25(28-16-9-1-2-10-17-28)19-24-26(31)27-15-18-29(24)20-23(21-11-5-3-6-12-21)22-13-7-4-8-14-22/h3-8,11-14,23-24H,1-2,9-10,15-20H2,(H,27,31)/p+1/t24-/m1/s1