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

Systemtic Name: N-[(2S)-2-(4-dimethylaminophenyl)-2-(4-methylpiperazine-1,4-diium-1-yl)ethyl]-3,3-dimethyl-butanamide Openeye Name: N-[(2S)-2-(4-dimethylaminophenyl)-2-(4-methylpiperazine-1,4-diium-1-yl)ethyl]-3,3-dimethyl-butanamide CAS Name: N-[(2S)-2-(4-dimethylaminophenyl)-2-(4-methyl-1-piperazine-1,4-diiumyl)ethyl]-3,3-dimethylbutanamide IUPAC Name: N-[(2S)-2-(4-dimethylaminophenyl)-2-(4-methylpiperazine-1,4-diium-1-yl)ethyl]-3,3-dimethylbutanamide Traditional Name: N-[(2S)-2-(4-dimethylaminophenyl)-2-(4-methylpiperazine-1,4-diium-1-yl)ethyl]-3,3-dimethyl-butyramide Formula: C21H38N4O+2 MolecularWeight: 362.55262

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H36N4O/c1-21(2,3)15-20(26)22-16-19(25-13-11-24(6)12-14-25)17-7-9-18(10-8-17)23(4)5/h7-10,19H,11-16H2,1-6H3,(H,22,26)/p+2/t19-/m1/s1