N-methyl-N-[[1-(2-methylpropyl)piperidin-1-ium-4-yl]methyl]-4-propyl-benzamide

Systemtic Name: N-methyl-N-[[1-(2-methylpropyl)piperidin-1-ium-4-yl]methyl]-4-propyl-benzamide Openeye Name: N-[(1-isobutylpiperidin-1-ium-4-yl)methyl]-N-methyl-4-propyl-benzamide CAS Name: N-methyl-N-[[1-(2-methylpropyl)-4-piperidin-1-iumyl]methyl]-4-propylbenzamide IUPAC Name: N-methyl-N-[[1-(2-methylpropyl)piperidin-1-ium-4-yl]methyl]-4-propylbenzamide Traditional Name: N-[(1-isobutylpiperidin-1-ium-4-yl)methyl]-N-methyl-4-propyl-benzamide Formula: C21H35N2O+ MolecularWeight: 331.5154

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC=C(C=C1)C(=O)N(C)CC2CC[NH+](CC2)CC(C)C

Isomeric SMILES

CCCC1=CC=C(C=C1)C(=O)N(C)CC2CC[NH+](CC2)CC(C)C

InChI

InChI=1S/C21H34N2O/c1-5-6-18-7-9-20(10-8-18)21(24)22(4)16-19-11-13-23(14-12-19)15-17(2)3/h7-10,17,19H,5-6,11-16H2,1-4H3/p+1