(2R)-N-(1,3-benzodioxol-5-yl)-2-[4-(2-methylphenyl)piperazin-1-ium-1-yl]propanamide

Systemtic Name: (2R)-N-(1,3-benzodioxol-5-yl)-2-[4-(2-methylphenyl)piperazin-1-ium-1-yl]propanamide Openeye Name: (2R)-N-(1,3-benzodioxol-5-yl)-2-[4-(o-tolyl)piperazin-1-ium-1-yl]propanamide CAS Name: (2R)-N-(1,3-benzodioxol-5-yl)-2-[4-(2-methylphenyl)-1-piperazin-1-iumyl]propanamide IUPAC Name: (2R)-N-(1,3-benzodioxol-5-yl)-2-[4-(2-methylphenyl)piperazin-1-ium-1-yl]propanamide Traditional Name: (2R)-N-(1,3-benzodioxol-5-yl)-2-[4-(o-tolyl)piperazin-1-ium-1-yl]propionamide Formula: C21H26N3O3+ MolecularWeight: 368.44944

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1N2CC[NH+](CC2)C(C)C(=O)NC3=CC4=C(C=C3)OCO4

Isomeric SMILES

CC1=CC=CC=C1N2CC[NH+](CC2)[C@H](C)C(=O)NC3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C21H25N3O3/c1-15-5-3-4-6-18(15)24-11-9-23(10-12-24)16(2)21(25)22-17-7-8-19-20(13-17)27-14-26-19/h3-8,13,16H,9-12,14H2,1-2H3,(H,22,25)/p+1/t16-/m1/s1