N-(2-methyl-6-propan-2-yl-phenyl)-3-piperazin-4-ium-1-yl-propanamide

Systemtic Name: N-(2-methyl-6-propan-2-yl-phenyl)-3-piperazin-4-ium-1-yl-propanamide Openeye Name: N-(2-isopropyl-6-methyl-phenyl)-3-piperazin-4-ium-1-yl-propanamide CAS Name: N-(2-methyl-6-propan-2-ylphenyl)-3-(1-piperazin-4-iumyl)propanamide IUPAC Name: N-(2-methyl-6-propan-2-ylphenyl)-3-piperazin-4-ium-1-ylpropanamide Traditional Name: N-(2-isopropyl-6-methyl-phenyl)-3-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)CCN2CC[NH2+]CC2

Isomeric SMILES

CC1=C(C(=CC=C1)C(C)C)NC(=O)CCN2CC[NH2+]CC2

InChI

InChI=1S/C17H27N3O/c1-13(2)15-6-4-5-14(3)17(15)19-16(21)7-10-20-11-8-18-9-12-20/h4-6,13,18H,7-12H2,1-3H3,(H,19,21)/p+1