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

Systemtic Name: 2-ethoxy-N-[(2S)-2-(4-methylphenyl)-2-(4-methylpiperazine-1,4-diium-1-yl)ethyl]ethanamide Openeye Name: 2-ethoxy-N-[(2S)-2-(4-methylpiperazine-1,4-diium-1-yl)-2-(p-tolyl)ethyl]acetamide CAS Name: 2-ethoxy-N-[(2S)-2-(4-methylphenyl)-2-(4-methyl-1-piperazine-1,4-diiumyl)ethyl]acetamide IUPAC Name: 2-ethoxy-N-[(2S)-2-(4-methylphenyl)-2-(4-methylpiperazine-1,4-diium-1-yl)ethyl]acetamide Traditional Name: 2-ethoxy-N-[(2S)-2-(4-methylpiperazine-1,4-diium-1-yl)-2-(p-tolyl)ethyl]acetamide Formula: C18H31N3O2+2 MolecularWeight: 321.45764

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H29N3O2/c1-4-23-14-18(22)19-13-17(16-7-5-15(2)6-8-16)21-11-9-20(3)10-12-21/h5-8,17H,4,9-14H2,1-3H3,(H,19,22)/p+2/t17-/m1/s1