(2S)-N-(4-ethoxyphenyl)-2-piperazin-4-ium-1-yl-propanamide

Systemtic Name: (2S)-N-(4-ethoxyphenyl)-2-piperazin-4-ium-1-yl-propanamide Openeye Name: (2S)-N-(4-ethoxyphenyl)-2-piperazin-4-ium-1-yl-propanamide CAS Name: (2S)-N-(4-ethoxyphenyl)-2-(1-piperazin-4-iumyl)propanamide IUPAC Name: (2S)-N-(4-ethoxyphenyl)-2-piperazin-4-ium-1-ylpropanamide Traditional Name: (2S)-2-piperazin-4-ium-1-yl-N-p-phenetyl-propionamide Formula: C15H24N3O2+ MolecularWeight: 278.36996

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)NC(=O)C(C)N2CC[NH2+]CC2

Isomeric SMILES

CCOC1=CC=C(C=C1)NC(=O)[C@H](C)N2CC[NH2+]CC2

InChI

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