N-cyclobutyl-1-[1-[(2-methylphenyl)methyl]piperidin-1-ium-4-yl]piperidin-1-ium-4-carboxamide

Systemtic Name: N-cyclobutyl-1-[1-[(2-methylphenyl)methyl]piperidin-1-ium-4-yl]piperidin-1-ium-4-carboxamide Openeye Name: N-cyclobutyl-1-[1-(o-tolylmethyl)piperidin-1-ium-4-yl]piperidin-1-ium-4-carboxamide CAS Name: N-cyclobutyl-1-[1-[(2-methylphenyl)methyl]-4-piperidin-1-iumyl]-4-piperidin-1-iumcarboxamide IUPAC Name: N-cyclobutyl-1-[1-[(2-methylphenyl)methyl]piperidin-1-ium-4-yl]piperidin-1-ium-4-carboxamide Traditional Name: N-cyclobutyl-1-[1-(2-methylbenzyl)piperidin-1-ium-4-yl]piperidin-1-ium-4-carboxamide Formula: C23H37N3O+2 MolecularWeight: 371.55938

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C[NH+]2CCC(CC2)[NH+]3CCC(CC3)C(=O)NC4CCC4

Isomeric SMILES

CC1=CC=CC=C1C[NH+]2CCC(CC2)[NH+]3CCC(CC3)C(=O)NC4CCC4

InChI

InChI=1S/C23H35N3O/c1-18-5-2-3-6-20(18)17-25-13-11-22(12-14-25)26-15-9-19(10-16-26)23(27)24-21-7-4-8-21/h2-3,5-6,19,21-22H,4,7-17H2,1H3,(H,24,27)/p+2