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

Systemtic Name: (3R)-3-[2-(azepan-1-yl)-2-oxidanylidene-ethyl]-4-(naphthalen-2-ylmethyl)piperazin-4-ium-2-one Openeye Name: (3R)-3-[2-(azepan-1-yl)-2-oxo-ethyl]-4-(2-naphthylmethyl)piperazin-4-ium-2-one CAS Name: (3R)-3-[2-(1-azepanyl)-2-oxoethyl]-4-(2-naphthalenylmethyl)-2-piperazin-4-iumone IUPAC Name: (3R)-3-[2-(azepan-1-yl)-2-oxoethyl]-4-(naphthalen-2-ylmethyl)piperazin-4-ium-2-one Traditional Name: (3R)-3-[2-(azepan-1-yl)-2-keto-ethyl]-4-(2-naphthylmethyl)piperazin-4-ium-2-one Formula: C23H30N3O2+ MolecularWeight: 380.5032

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C(=O)CC2C(=O)NCC[NH+]2CC3=CC4=CC=CC=C4C=C3

Isomeric SMILES

C1CCCN(CC1)C(=O)C[C@@H]2C(=O)NCC[NH+]2CC3=CC4=CC=CC=C4C=C3

InChI

InChI=1S/C23H29N3O2/c27-22(25-12-5-1-2-6-13-25)16-21-23(28)24-11-14-26(21)17-18-9-10-19-7-3-4-8-20(19)15-18/h3-4,7-10,15,21H,1-2,5-6,11-14,16-17H2,(H,24,28)/p+1/t21-/m1/s1