(2S)-N-(2,6-diethylphenyl)-2-piperazin-4-ium-1-yl-propanamide

Systemtic Name: (2S)-N-(2,6-diethylphenyl)-2-piperazin-4-ium-1-yl-propanamide Openeye Name: (2S)-N-(2,6-diethylphenyl)-2-piperazin-4-ium-1-yl-propanamide CAS Name: (2S)-N-(2,6-diethylphenyl)-2-(1-piperazin-4-iumyl)propanamide IUPAC Name: (2S)-N-(2,6-diethylphenyl)-2-piperazin-4-ium-1-ylpropanamide Traditional Name: (2S)-N-(2,6-diethylphenyl)-2-piperazin-4-ium-1-yl-propionamide Formula: C17H28N3O+ MolecularWeight: 290.42372

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C(=CC=C1)CC)NC(=O)C(C)N2CC[NH2+]CC2

Isomeric SMILES

CCC1=C(C(=CC=C1)CC)NC(=O)[C@H](C)N2CC[NH2+]CC2

InChI

InChI=1S/C17H27N3O/c1-4-14-7-6-8-15(5-2)16(14)19-17(21)13(3)20-11-9-18-10-12-20/h6-8,13,18H,4-5,9-12H2,1-3H3,(H,19,21)/p+1/t13-/m0/s1