N-(5-azanyl-2-methyl-phenyl)-3-piperidin-1-ium-1-yl-propanamide

Systemtic Name: N-(5-azanyl-2-methyl-phenyl)-3-piperidin-1-ium-1-yl-propanamide Openeye Name: N-(5-amino-2-methyl-phenyl)-3-piperidin-1-ium-1-yl-propanamide CAS Name: N-(5-amino-2-methylphenyl)-3-(1-piperidin-1-iumyl)propanamide IUPAC Name: N-(5-amino-2-methylphenyl)-3-piperidin-1-ium-1-ylpropanamide Traditional Name: N-(5-amino-2-methyl-phenyl)-3-piperidin-1-ium-1-yl-propionamide Formula: C15H24N3O+ MolecularWeight: 262.37056

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)N)NC(=O)CC[NH+]2CCCCC2

Isomeric SMILES

CC1=C(C=C(C=C1)N)NC(=O)CC[NH+]2CCCCC2

InChI

InChI=1S/C15H23N3O/c1-12-5-6-13(16)11-14(12)17-15(19)7-10-18-8-3-2-4-9-18/h5-6,11H,2-4,7-10,16H2,1H3,(H,17,19)/p+1