(3R)-3-[2-(azocan-1-yl)-2-oxidanylidene-ethyl]-4-[(4-methylphenyl)methyl]piperazin-4-ium-2-one

Systemtic Name: (3R)-3-[2-(azocan-1-yl)-2-oxidanylidene-ethyl]-4-[(4-methylphenyl)methyl]piperazin-4-ium-2-one Openeye Name: (3R)-3-[2-(azocan-1-yl)-2-oxo-ethyl]-4-(p-tolylmethyl)piperazin-4-ium-2-one CAS Name: (3R)-3-[2-(1-azocanyl)-2-oxoethyl]-4-[(4-methylphenyl)methyl]-2-piperazin-4-iumone IUPAC Name: (3R)-3-[2-(azocan-1-yl)-2-oxoethyl]-4-[(4-methylphenyl)methyl]piperazin-4-ium-2-one Traditional Name: (3R)-3-[2-(azocan-1-yl)-2-keto-ethyl]-4-(4-methylbenzyl)piperazin-4-ium-2-one Formula: C21H32N3O2+ MolecularWeight: 358.49768

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C[NH+]2CCNC(=O)C2CC(=O)N3CCCCCCC3

Isomeric SMILES

CC1=CC=C(C=C1)C[NH+]2CCNC(=O)[C@H]2CC(=O)N3CCCCCCC3

InChI

InChI=1S/C21H31N3O2/c1-17-7-9-18(10-8-17)16-24-14-11-22-21(26)19(24)15-20(25)23-12-5-3-2-4-6-13-23/h7-10,19H,2-6,11-16H2,1H3,(H,22,26)/p+1/t19-/m1/s1