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

Systemtic Name: N-[(1R)-1-cyclopropylethyl]-2-[4-[(3-methylphenyl)methyl]piperazine-1,4-diium-1-yl]ethanamide Openeye Name: N-[(1R)-1-cyclopropylethyl]-2-[4-(m-tolylmethyl)piperazine-1,4-diium-1-yl]acetamide CAS Name: N-[(1R)-1-cyclopropylethyl]-2-[4-[(3-methylphenyl)methyl]-1-piperazine-1,4-diiumyl]acetamide IUPAC Name: N-[(1R)-1-cyclopropylethyl]-2-[4-[(3-methylphenyl)methyl]piperazine-1,4-diium-1-yl]acetamide Traditional Name: N-[(1R)-1-cyclopropylethyl]-2-[4-(3-methylbenzyl)piperazine-1,4-diium-1-yl]acetamide Formula: C19H31N3O+2 MolecularWeight: 317.46894

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)C[NH+]2CC[NH+](CC2)CC(=O)NC(C)C3CC3

Isomeric SMILES

CC1=CC(=CC=C1)C[NH+]2CC[NH+](CC2)CC(=O)N[C@H](C)C3CC3

InChI

InChI=1S/C19H29N3O/c1-15-4-3-5-17(12-15)13-21-8-10-22(11-9-21)14-19(23)20-16(2)18-6-7-18/h3-5,12,16,18H,6-11,13-14H2,1-2H3,(H,20,23)/p+2/t16-/m1/s1