1-[3-[(2-methoxy-5-methyl-phenyl)amino]-3-oxidanylidene-propyl]piperidin-1-ium-4-carboxamide

Systemtic Name: 1-[3-[(2-methoxy-5-methyl-phenyl)amino]-3-oxidanylidene-propyl]piperidin-1-ium-4-carboxamide Openeye Name: 1-[3-(2-methoxy-5-methyl-anilino)-3-oxo-propyl]piperidin-1-ium-4-carboxamide CAS Name: 1-[3-(2-methoxy-5-methylanilino)-3-oxopropyl]-4-piperidin-1-iumcarboxamide IUPAC Name: 1-[3-(2-methoxy-5-methylanilino)-3-oxopropyl]piperidin-1-ium-4-carboxamide Traditional Name: 1-[3-keto-3-(2-methoxy-5-methyl-anilino)propyl]piperidin-1-ium-4-carboxamide Formula: C17H26N3O3+ MolecularWeight: 320.40664

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)OC)NC(=O)CC[NH+]2CCC(CC2)C(=O)N

Isomeric SMILES

CC1=CC(=C(C=C1)OC)NC(=O)CC[NH+]2CCC(CC2)C(=O)N

InChI

InChI=1S/C17H25N3O3/c1-12-3-4-15(23-2)14(11-12)19-16(21)7-10-20-8-5-13(6-9-20)17(18)22/h3-4,11,13H,5-10H2,1-2H3,(H2,18,22)(H,19,21)/p+1