N-(1,3-benzodioxol-5-ylmethyl)-1-[(3-methylphenyl)methyl]piperidin-1-ium-4-carboxamide

Systemtic Name: N-(1,3-benzodioxol-5-ylmethyl)-1-[(3-methylphenyl)methyl]piperidin-1-ium-4-carboxamide Openeye Name: N-(1,3-benzodioxol-5-ylmethyl)-1-(m-tolylmethyl)piperidin-1-ium-4-carboxamide CAS Name: N-(1,3-benzodioxol-5-ylmethyl)-1-[(3-methylphenyl)methyl]-4-piperidin-1-iumcarboxamide IUPAC Name: N-(1,3-benzodioxol-5-ylmethyl)-1-[(3-methylphenyl)methyl]piperidin-1-ium-4-carboxamide Traditional Name: 1-(3-methylbenzyl)-N-piperonyl-piperidin-1-ium-4-carboxamide Formula: C22H27N2O3+ MolecularWeight: 367.46138

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)C[NH+]2CCC(CC2)C(=O)NCC3=CC4=C(C=C3)OCO4

Isomeric SMILES

CC1=CC(=CC=C1)C[NH+]2CCC(CC2)C(=O)NCC3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C22H26N2O3/c1-16-3-2-4-18(11-16)14-24-9-7-19(8-10-24)22(25)23-13-17-5-6-20-21(12-17)27-15-26-20/h2-6,11-12,19H,7-10,13-15H2,1H3,(H,23,25)/p+1