(2S)-N-cyclopropyl-2-[4-[(2-methylphenyl)methyl]piperazine-1,4-diium-1-yl]propanamide

Systemtic Name: (2S)-N-cyclopropyl-2-[4-[(2-methylphenyl)methyl]piperazine-1,4-diium-1-yl]propanamide Openeye Name: (2S)-N-cyclopropyl-2-[4-(o-tolylmethyl)piperazine-1,4-diium-1-yl]propanamide CAS Name: (2S)-N-cyclopropyl-2-[4-[(2-methylphenyl)methyl]-1-piperazine-1,4-diiumyl]propanamide IUPAC Name: (2S)-N-cyclopropyl-2-[4-[(2-methylphenyl)methyl]piperazine-1,4-diium-1-yl]propanamide Traditional Name: (2S)-N-cyclopropyl-2-[4-(2-methylbenzyl)piperazine-1,4-diium-1-yl]propionamide Formula: C18H29N3O+2 MolecularWeight: 303.44236

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C[NH+]2CC[NH+](CC2)C(C)C(=O)NC3CC3

Isomeric SMILES

CC1=CC=CC=C1C[NH+]2CC[NH+](CC2)[C@@H](C)C(=O)NC3CC3

InChI

InChI=1S/C18H27N3O/c1-14-5-3-4-6-16(14)13-20-9-11-21(12-10-20)15(2)18(22)19-17-7-8-17/h3-6,15,17H,7-13H2,1-2H3,(H,19,22)/p+2/t15-/m0/s1