2-methylpropyl N-(4-methylphenyl)carbonyl-N'-(3-morpholin-4-ium-4-ylpropyl)carbamimidate

Systemtic Name: 2-methylpropyl N-(4-methylphenyl)carbonyl-N'-(3-morpholin-4-ium-4-ylpropyl)carbamimidate Openeye Name: N-[C-isobutoxy-N-(3-morpholin-4-ium-4-ylpropyl)carbonimidoyl]-4-methyl-benzamide CAS Name: N-[(4-methylphenyl)-oxomethyl]-N'-[3-(4-morpholin-4-iumyl)propyl]carbamimidic acid 2-methylpropyl ester IUPAC Name: 2-methylpropyl N-(4-methylbenzoyl)-N'-(3-morpholin-4-ium-4-ylpropyl)carbamimidate Traditional Name: N-[C-isobutoxy-N-(3-morpholin-4-ium-4-ylpropyl)carbonimidoyl]-4-methyl-benzamide Formula: C20H32N3O3+ MolecularWeight: 362.48638

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)NC(=NCCC[NH+]2CCOCC2)OCC(C)C

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)NC(=NCCC[NH+]2CCOCC2)OCC(C)C

InChI

InChI=1S/C20H31N3O3/c1-16(2)15-26-20(21-9-4-10-23-11-13-25-14-12-23)22-19(24)18-7-5-17(3)6-8-18/h5-8,16H,4,9-15H2,1-3H3,(H,21,22,24)/p+1