(3S)-1-[(4-chlorophenyl)methyl]-N-(1-methylpiperidin-1-ium-4-yl)piperidin-1-ium-3-amine

Systemtic Name: (3S)-1-[(4-chlorophenyl)methyl]-N-(1-methylpiperidin-1-ium-4-yl)piperidin-1-ium-3-amine Openeye Name: (3S)-1-[(4-chlorophenyl)methyl]-N-(1-methylpiperidin-1-ium-4-yl)piperidin-1-ium-3-amine CAS Name: (3S)-1-[(4-chlorophenyl)methyl]-N-(1-methyl-4-piperidin-1-iumyl)-3-piperidin-1-iumamine IUPAC Name: (3S)-1-[(4-chlorophenyl)methyl]-N-(1-methylpiperidin-1-ium-4-yl)piperidin-1-ium-3-amine Traditional Name: [(3S)-1-(4-chlorobenzyl)piperidin-1-ium-3-yl]-(1-methylpiperidin-1-ium-4-yl)amine Formula: C18H30ClN3+2 MolecularWeight: 323.9039

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCC(CC1)NC2CCC[NH+](C2)CC3=CC=C(C=C3)Cl

Isomeric SMILES

C[NH+]1CCC(CC1)N[C@H]2CCC[NH+](C2)CC3=CC=C(C=C3)Cl

InChI

InChI=1S/C18H28ClN3/c1-21-11-8-17(9-12-21)20-18-3-2-10-22(14-18)13-15-4-6-16(19)7-5-15/h4-7,17-18,20H,2-3,8-14H2,1H3/p+2/t18-/m0/s1