N-(3-methylbutyl)-1-[(4-propan-2-ylphenyl)methyl]piperidin-1-ium-4-carboxamide

Systemtic Name: N-(3-methylbutyl)-1-[(4-propan-2-ylphenyl)methyl]piperidin-1-ium-4-carboxamide Openeye Name: N-isopentyl-1-[(4-isopropylphenyl)methyl]piperidin-1-ium-4-carboxamide CAS Name: N-(3-methylbutyl)-1-[(4-propan-2-ylphenyl)methyl]-4-piperidin-1-iumcarboxamide IUPAC Name: N-(3-methylbutyl)-1-[(4-propan-2-ylphenyl)methyl]piperidin-1-ium-4-carboxamide Traditional Name: N-isoamyl-1-(4-isopropylbenzyl)piperidin-1-ium-4-carboxamide Formula: C21H35N2O+ MolecularWeight: 331.5154

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCNC(=O)C1CC[NH+](CC1)CC2=CC=C(C=C2)C(C)C

Isomeric SMILES

CC(C)CCNC(=O)C1CC[NH+](CC1)CC2=CC=C(C=C2)C(C)C

InChI

InChI=1S/C21H34N2O/c1-16(2)9-12-22-21(24)20-10-13-23(14-11-20)15-18-5-7-19(8-6-18)17(3)4/h5-8,16-17,20H,9-15H2,1-4H3,(H,22,24)/p+1