1-(1-cyclopentylpiperidin-1-ium-4-yl)-N-[[3-(3-methylphenyl)-1H-imidazol-3-ium-2-yl]methyl]-N-(pyridin-3-ylmethyl)methanamine

Systemtic Name: 1-(1-cyclopentylpiperidin-1-ium-4-yl)-N-[[3-(3-methylphenyl)-1H-imidazol-3-ium-2-yl]methyl]-N-(pyridin-3-ylmethyl)methanamine Openeye Name: 1-(1-cyclopentylpiperidin-1-ium-4-yl)-N-[[3-(m-tolyl)-1H-imidazol-3-ium-2-yl]methyl]-N-(3-pyridylmethyl)methanamine CAS Name: 1-(1-cyclopentyl-4-piperidin-1-iumyl)-N-[[3-(3-methylphenyl)-1H-imidazol-3-ium-2-yl]methyl]-N-(3-pyridinylmethyl)methanamine IUPAC Name: 1-(1-cyclopentylpiperidin-1-ium-4-yl)-N-[[3-(3-methylphenyl)-1H-imidazol-3-ium-2-yl]methyl]-N-(pyridin-3-ylmethyl)methanamine Traditional Name: (1-cyclopentylpiperidin-1-ium-4-yl)methyl-[[3-(m-tolyl)-1H-imidazol-3-ium-2-yl]methyl]-(3-pyridylmethyl)amine Formula: C28H39N5+2 MolecularWeight: 445.64276

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)[N+]2=C(NC=C2)CN(CC3CC[NH+](CC3)C4CCCC4)CC5=CN=CC=C5

Isomeric SMILES

CC1=CC(=CC=C1)[N+]2=C(NC=C2)CN(CC3CC[NH+](CC3)C4CCCC4)CC5=CN=CC=C5

InChI

InChI=1S/C28H37N5/c1-23-6-4-10-27(18-23)33-17-14-30-28(33)22-31(21-25-7-5-13-29-19-25)20-24-11-15-32(16-12-24)26-8-2-3-9-26/h4-7,10,13-14,17-19,24,26H,2-3,8-9,11-12,15-16,20-22H2,1H3/p+2