1-[(3-bromophenyl)methyl]-4-(4-methylpiperidin-1-ium-1-yl)piperidin-1-ium

Systemtic Name: 1-[(3-bromophenyl)methyl]-4-(4-methylpiperidin-1-ium-1-yl)piperidin-1-ium Openeye Name: 1-[(3-bromophenyl)methyl]-4-(4-methylpiperidin-1-ium-1-yl)piperidin-1-ium CAS Name: 1-[(3-bromophenyl)methyl]-4-(4-methyl-1-piperidin-1-iumyl)piperidin-1-ium IUPAC Name: 1-[(3-bromophenyl)methyl]-4-(4-methylpiperidin-1-ium-1-yl)piperidin-1-ium Traditional Name: 1-(3-bromobenzyl)-4-(4-methylpiperidin-1-ium-1-yl)piperidin-1-ium Formula: C18H29BrN2+2 MolecularWeight: 353.34026

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC[NH+](CC1)C2CC[NH+](CC2)CC3=CC(=CC=C3)Br

Isomeric SMILES

CC1CC[NH+](CC1)C2CC[NH+](CC2)CC3=CC(=CC=C3)Br

InChI

InChI=1S/C18H27BrN2/c1-15-5-11-21(12-6-15)18-7-9-20(10-8-18)14-16-3-2-4-17(19)13-16/h2-4,13,15,18H,5-12,14H2,1H3/p+2