(2S)-N-(2-methoxy-5-methyl-phenyl)-2-piperazin-4-ium-1-yl-propanamide

Systemtic Name: (2S)-N-(2-methoxy-5-methyl-phenyl)-2-piperazin-4-ium-1-yl-propanamide Openeye Name: (2S)-N-(2-methoxy-5-methyl-phenyl)-2-piperazin-4-ium-1-yl-propanamide CAS Name: (2S)-N-(2-methoxy-5-methylphenyl)-2-(1-piperazin-4-iumyl)propanamide IUPAC Name: (2S)-N-(2-methoxy-5-methylphenyl)-2-piperazin-4-ium-1-ylpropanamide Traditional Name: (2S)-N-(2-methoxy-5-methyl-phenyl)-2-piperazin-4-ium-1-yl-propionamide Formula: C15H24N3O2+ MolecularWeight: 278.36996

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)OC)NC(=O)C(C)N2CC[NH2+]CC2

Isomeric SMILES

CC1=CC(=C(C=C1)OC)NC(=O)[C@H](C)N2CC[NH2+]CC2

InChI

InChI=1S/C15H23N3O2/c1-11-4-5-14(20-3)13(10-11)17-15(19)12(2)18-8-6-16-7-9-18/h4-5,10,12,16H,6-9H2,1-3H3,(H,17,19)/p+1/t12-/m0/s1