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

Systemtic Name: (3R)-3-[2-(azepan-1-yl)-2-oxidanylidene-ethyl]-4-(3-phenylpropyl)piperazin-4-ium-2-one Openeye Name: (3R)-3-[2-(azepan-1-yl)-2-oxo-ethyl]-4-(3-phenylpropyl)piperazin-4-ium-2-one CAS Name: (3R)-3-[2-(1-azepanyl)-2-oxoethyl]-4-(3-phenylpropyl)-2-piperazin-4-iumone IUPAC Name: (3R)-3-[2-(azepan-1-yl)-2-oxoethyl]-4-(3-phenylpropyl)piperazin-4-ium-2-one Traditional Name: (3R)-3-[2-(azepan-1-yl)-2-keto-ethyl]-4-(3-phenylpropyl)piperazin-4-ium-2-one Formula: C21H32N3O2+ MolecularWeight: 358.49768

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C(=O)CC2C(=O)NCC[NH+]2CCCC3=CC=CC=C3

Isomeric SMILES

C1CCCN(CC1)C(=O)C[C@@H]2C(=O)NCC[NH+]2CCCC3=CC=CC=C3

InChI

InChI=1S/C21H31N3O2/c25-20(24-13-6-1-2-7-14-24)17-19-21(26)22-12-16-23(19)15-8-11-18-9-4-3-5-10-18/h3-5,9-10,19H,1-2,6-8,11-17H2,(H,22,26)/p+1/t19-/m1/s1