(3R)-3-[2-(4-cyclopentyl-1,4-diazepan-4-ium-1-yl)-2-oxidanylidene-ethyl]-4-(naphthalen-2-ylmethyl)piperazin-4-ium-2-one

Systemtic Name: (3R)-3-[2-(4-cyclopentyl-1,4-diazepan-4-ium-1-yl)-2-oxidanylidene-ethyl]-4-(naphthalen-2-ylmethyl)piperazin-4-ium-2-one Openeye Name: (3R)-3-[2-(4-cyclopentyl-1,4-diazepan-4-ium-1-yl)-2-oxo-ethyl]-4-(2-naphthylmethyl)piperazin-4-ium-2-one CAS Name: (3R)-3-[2-(4-cyclopentyl-1,4-diazepan-4-ium-1-yl)-2-oxoethyl]-4-(2-naphthalenylmethyl)-2-piperazin-4-iumone IUPAC Name: (3R)-3-[2-(4-cyclopentyl-1,4-diazepan-4-ium-1-yl)-2-oxoethyl]-4-(naphthalen-2-ylmethyl)piperazin-4-ium-2-one Traditional Name: (3R)-3-[2-(4-cyclopentyl-1,4-diazepan-4-ium-1-yl)-2-keto-ethyl]-4-(2-naphthylmethyl)piperazin-4-ium-2-one Formula: C27H38N4O2+2 MolecularWeight: 450.61622

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C1)[NH+]2CCCN(CC2)C(=O)CC3C(=O)NCC[NH+]3CC4=CC5=CC=CC=C5C=C4

Isomeric SMILES

C1CCC(C1)[NH+]2CCCN(CC2)C(=O)C[C@@H]3C(=O)NCC[NH+]3CC4=CC5=CC=CC=C5C=C4

InChI

InChI=1S/C27H36N4O2/c32-26(30-14-5-13-29(16-17-30)24-8-3-4-9-24)19-25-27(33)28-12-15-31(25)20-21-10-11-22-6-1-2-7-23(22)18-21/h1-2,6-7,10-11,18,24-25H,3-5,8-9,12-17,19-20H2,(H,28,33)/p+2/t25-/m1/s1