N-[(2R)-butan-2-yl]-2-[4-[(3-methylphenyl)methyl]piperazine-1,4-diium-1-yl]ethanamide

Systemtic Name: N-[(2R)-butan-2-yl]-2-[4-[(3-methylphenyl)methyl]piperazine-1,4-diium-1-yl]ethanamide Openeye Name: N-[(1R)-1-methylpropyl]-2-[4-(m-tolylmethyl)piperazine-1,4-diium-1-yl]acetamide CAS Name: N-[(2R)-butan-2-yl]-2-[4-[(3-methylphenyl)methyl]-1-piperazine-1,4-diiumyl]acetamide IUPAC Name: N-[(2R)-butan-2-yl]-2-[4-[(3-methylphenyl)methyl]piperazine-1,4-diium-1-yl]acetamide Traditional Name: 2-[4-(3-methylbenzyl)piperazine-1,4-diium-1-yl]-N-[(1R)-1-methylpropyl]acetamide Formula: C18H31N3O+2 MolecularWeight: 305.45824

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)NC(=O)C[NH+]1CC[NH+](CC1)CC2=CC=CC(=C2)C

Isomeric SMILES

CC[C@@H](C)NC(=O)C[NH+]1CC[NH+](CC1)CC2=CC=CC(=C2)C

InChI

InChI=1S/C18H29N3O/c1-4-16(3)19-18(22)14-21-10-8-20(9-11-21)13-17-7-5-6-15(2)12-17/h5-7,12,16H,4,8-11,13-14H2,1-3H3,(H,19,22)/p+2/t16-/m1/s1