(2S)-N-(2-methyl-6-propan-2-yl-phenyl)-2-piperazin-4-ium-1-yl-propanamide

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H27N3O/c1-12(2)15-7-5-6-13(3)16(15)19-17(21)14(4)20-10-8-18-9-11-20/h5-7,12,14,18H,8-11H2,1-4H3,(H,19,21)/p+1/t14-/m0/s1