4-[(3,5-dimethylphenyl)carbonyl-prop-2-enyl-amino]-N-phenyl-1-propan-2-yl-piperidin-1-ium-4-carboxamide

Systemtic Name: 4-[(3,5-dimethylphenyl)carbonyl-prop-2-enyl-amino]-N-phenyl-1-propan-2-yl-piperidin-1-ium-4-carboxamide Openeye Name: 4-[allyl-(3,5-dimethylbenzoyl)amino]-1-isopropyl-N-phenyl-piperidin-1-ium-4-carboxamide CAS Name: 4-[[(3,5-dimethylphenyl)-oxomethyl]-prop-2-enylamino]-N-phenyl-1-propan-2-yl-4-piperidin-1-iumcarboxamide IUPAC Name: 4-[(3,5-dimethylbenzoyl)-prop-2-enylamino]-N-phenyl-1-propan-2-ylpiperidin-1-ium-4-carboxamide Traditional Name: 4-[allyl-(3,5-dimethylbenzoyl)amino]-1-isopropyl-N-phenyl-piperidin-1-ium-4-carboxamide Formula: C27H36N3O2+ MolecularWeight: 434.59364

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)C(=O)N(CC=C)C2(CC[NH+](CC2)C(C)C)C(=O)NC3=CC=CC=C3)C

Isomeric SMILES

CC1=CC(=CC(=C1)C(=O)N(CC=C)C2(CC[NH+](CC2)C(C)C)C(=O)NC3=CC=CC=C3)C

InChI

InChI=1S/C27H35N3O2/c1-6-14-30(25(31)23-18-21(4)17-22(5)19-23)27(12-15-29(16-13-27)20(2)3)26(32)28-24-10-8-7-9-11-24/h6-11,17-20H,1,12-16H2,2-5H3,(H,28,32)/p+1