N-[(2S)-2-(4-dimethylaminophenyl)-2-(4-methylpiperazine-1,4-diium-1-yl)ethyl]-3-methyl-butanamide

Systemtic Name: N-[(2S)-2-(4-dimethylaminophenyl)-2-(4-methylpiperazine-1,4-diium-1-yl)ethyl]-3-methyl-butanamide Openeye Name: N-[(2S)-2-(4-dimethylaminophenyl)-2-(4-methylpiperazine-1,4-diium-1-yl)ethyl]-3-methyl-butanamide CAS Name: N-[(2S)-2-(4-dimethylaminophenyl)-2-(4-methyl-1-piperazine-1,4-diiumyl)ethyl]-3-methylbutanamide IUPAC Name: N-[(2S)-2-(4-dimethylaminophenyl)-2-(4-methylpiperazine-1,4-diium-1-yl)ethyl]-3-methylbutanamide Traditional Name: N-[(2S)-2-(4-dimethylaminophenyl)-2-(4-methylpiperazine-1,4-diium-1-yl)ethyl]-3-methyl-butyramide Formula: C20H36N4O+2 MolecularWeight: 348.52604

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(=O)NCC(C1=CC=C(C=C1)N(C)C)[NH+]2CC[NH+](CC2)C

Isomeric SMILES

CC(C)CC(=O)NC[C@H](C1=CC=C(C=C1)N(C)C)[NH+]2CC[NH+](CC2)C

InChI

InChI=1S/C20H34N4O/c1-16(2)14-20(25)21-15-19(24-12-10-23(5)11-13-24)17-6-8-18(9-7-17)22(3)4/h6-9,16,19H,10-15H2,1-5H3,(H,21,25)/p+2/t19-/m1/s1