N,N-dimethyl-4-[(3S)-3-[4-(2-methylphenyl)piperazin-1-ium-1-yl]piperidin-1-yl]-4-oxidanylidene-butanamide

Systemtic Name: N,N-dimethyl-4-[(3S)-3-[4-(2-methylphenyl)piperazin-1-ium-1-yl]piperidin-1-yl]-4-oxidanylidene-butanamide Openeye Name: N,N-dimethyl-4-[(3S)-3-[4-(o-tolyl)piperazin-1-ium-1-yl]-1-piperidyl]-4-oxo-butanamide CAS Name: N,N-dimethyl-4-[(3S)-3-[4-(2-methylphenyl)-1-piperazin-1-iumyl]-1-piperidinyl]-4-oxobutanamide IUPAC Name: N,N-dimethyl-4-[(3S)-3-[4-(2-methylphenyl)piperazin-1-ium-1-yl]piperidin-1-yl]-4-oxobutanamide Traditional Name: 4-keto-N,N-dimethyl-4-[(3S)-3-[4-(o-tolyl)piperazin-1-ium-1-yl]piperidino]butyramide Formula: C22H35N4O2+ MolecularWeight: 387.5389

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1N2CC[NH+](CC2)C3CCCN(C3)C(=O)CCC(=O)N(C)C

Isomeric SMILES

CC1=CC=CC=C1N2CC[NH+](CC2)[C@H]3CCCN(C3)C(=O)CCC(=O)N(C)C

InChI

InChI=1S/C22H34N4O2/c1-18-7-4-5-9-20(18)25-15-13-24(14-16-25)19-8-6-12-26(17-19)22(28)11-10-21(27)23(2)3/h4-5,7,9,19H,6,8,10-17H2,1-3H3/p+1/t19-/m0/s1