propan-2-yl N-(2-methylphenyl)carbonyl-N'-(2-piperidin-1-ium-1-ylethyl)carbamimidate

Systemtic Name: propan-2-yl N-(2-methylphenyl)carbonyl-N'-(2-piperidin-1-ium-1-ylethyl)carbamimidate Openeye Name: N-[C-isopropoxy-N-(2-piperidin-1-ium-1-ylethyl)carbonimidoyl]-2-methyl-benzamide CAS Name: N-[(2-methylphenyl)-oxomethyl]-N'-[2-(1-piperidin-1-iumyl)ethyl]carbamimidic acid propan-2-yl ester IUPAC Name: propan-2-yl N-(2-methylbenzoyl)-N'-(2-piperidin-1-ium-1-ylethyl)carbamimidate Traditional Name: N-[C-isopropoxy-N-(2-piperidin-1-ium-1-ylethyl)carbonimidoyl]-2-methyl-benzamide Formula: C19H30N3O2+ MolecularWeight: 332.4604

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C(=O)NC(=NCC[NH+]2CCCCC2)OC(C)C

Isomeric SMILES

CC1=CC=CC=C1C(=O)NC(=NCC[NH+]2CCCCC2)OC(C)C

InChI

InChI=1S/C19H29N3O2/c1-15(2)24-19(20-11-14-22-12-7-4-8-13-22)21-18(23)17-10-6-5-9-16(17)3/h5-6,9-10,15H,4,7-8,11-14H2,1-3H3,(H,20,21,23)/p+1