(2S)-N-(2,3-dihydro-1H-inden-5-yl)-2-piperazin-4-ium-1-yl-propanamide

Systemtic Name: (2S)-N-(2,3-dihydro-1H-inden-5-yl)-2-piperazin-4-ium-1-yl-propanamide Openeye Name: (2S)-N-indan-5-yl-2-piperazin-4-ium-1-yl-propanamide CAS Name: (2S)-N-(2,3-dihydro-1H-inden-5-yl)-2-(1-piperazin-4-iumyl)propanamide IUPAC Name: (2S)-N-(2,3-dihydro-1H-inden-5-yl)-2-piperazin-4-ium-1-ylpropanamide Traditional Name: (2S)-N-indan-5-yl-2-piperazin-4-ium-1-yl-propionamide Formula: C16H24N3O+ MolecularWeight: 274.38126

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC2=C(CCC2)C=C1)N3CC[NH2+]CC3

Isomeric SMILES

C[C@@H](C(=O)NC1=CC2=C(CCC2)C=C1)N3CC[NH2+]CC3

InChI

InChI=1S/C16H23N3O/c1-12(19-9-7-17-8-10-19)16(20)18-15-6-5-13-3-2-4-14(13)11-15/h5-6,11-12,17H,2-4,7-10H2,1H3,(H,18,20)/p+1/t12-/m0/s1