(2S)-2-piperazin-4-ium-1-yl-N-(3-propan-2-ylphenyl)propanamide

Systemtic Name: (2S)-2-piperazin-4-ium-1-yl-N-(3-propan-2-ylphenyl)propanamide Openeye Name: (2S)-N-(3-isopropylphenyl)-2-piperazin-4-ium-1-yl-propanamide CAS Name: (2S)-2-(1-piperazin-4-iumyl)-N-(3-propan-2-ylphenyl)propanamide IUPAC Name: (2S)-2-piperazin-4-ium-1-yl-N-(3-propan-2-ylphenyl)propanamide Traditional Name: (2S)-N-m-cumenyl-2-piperazin-4-ium-1-yl-propionamide Formula: C16H26N3O+ MolecularWeight: 276.39714

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

C[C@@H](C(=O)NC1=CC=CC(=C1)C(C)C)N2CC[NH2+]CC2

InChI

InChI=1S/C16H25N3O/c1-12(2)14-5-4-6-15(11-14)18-16(20)13(3)19-9-7-17-8-10-19/h4-6,11-13,17H,7-10H2,1-3H3,(H,18,20)/p+1/t13-/m0/s1