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

Systemtic Name: (3R)-4-(2,2-diphenylethyl)-3-[2-oxidanylidene-2-(4-propylpiperazin-1-yl)ethyl]piperazin-4-ium-2-one Openeye Name: (3R)-4-(2,2-diphenylethyl)-3-[2-oxo-2-(4-propylpiperazin-1-yl)ethyl]piperazin-4-ium-2-one CAS Name: (3R)-4-(2,2-diphenylethyl)-3-[2-oxo-2-(4-propyl-1-piperazinyl)ethyl]-2-piperazin-4-iumone IUPAC Name: (3R)-4-(2,2-diphenylethyl)-3-[2-oxo-2-(4-propylpiperazin-1-yl)ethyl]piperazin-4-ium-2-one Traditional Name: (3R)-4-(2,2-diphenylethyl)-3-[2-keto-2-(4-propylpiperazino)ethyl]piperazin-4-ium-2-one Formula: C27H37N4O2+ MolecularWeight: 449.60828

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1CCN(CC1)C(=O)CC2C(=O)NCC[NH+]2CC(C3=CC=CC=C3)C4=CC=CC=C4

Isomeric SMILES

CCCN1CCN(CC1)C(=O)C[C@@H]2C(=O)NCC[NH+]2CC(C3=CC=CC=C3)C4=CC=CC=C4

InChI

InChI=1S/C27H36N4O2/c1-2-14-29-16-18-30(19-17-29)26(32)20-25-27(33)28-13-15-31(25)21-24(22-9-5-3-6-10-22)23-11-7-4-8-12-23/h3-12,24-25H,2,13-21H2,1H3,(H,28,33)/p+1/t25-/m1/s1