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

Systemtic Name: N-[(2S)-2-(4-dimethylaminophenyl)-2-(4-methylpiperazine-1,4-diium-1-yl)ethyl]ethanamide Openeye Name: N-[(2S)-2-(4-dimethylaminophenyl)-2-(4-methylpiperazine-1,4-diium-1-yl)ethyl]acetamide CAS Name: N-[(2S)-2-(4-dimethylaminophenyl)-2-(4-methyl-1-piperazine-1,4-diiumyl)ethyl]acetamide IUPAC Name: N-[(2S)-2-(4-dimethylaminophenyl)-2-(4-methylpiperazine-1,4-diium-1-yl)ethyl]acetamide Traditional Name: N-[(2S)-2-(4-dimethylaminophenyl)-2-(4-methylpiperazine-1,4-diium-1-yl)ethyl]acetamide Formula: C17H30N4O+2 MolecularWeight: 306.4463

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H28N4O/c1-14(22)18-13-17(21-11-9-20(4)10-12-21)15-5-7-16(8-6-15)19(2)3/h5-8,17H,9-13H2,1-4H3,(H,18,22)/p+2/t17-/m1/s1