(3S)-N-(3,4-dimethylphenyl)-1-[1-(pyridin-2-ylmethyl)piperidin-1-ium-4-yl]piperidin-1-ium-3-amine

Systemtic Name: (3S)-N-(3,4-dimethylphenyl)-1-[1-(pyridin-2-ylmethyl)piperidin-1-ium-4-yl]piperidin-1-ium-3-amine Openeye Name: (3S)-N-(3,4-dimethylphenyl)-1-[1-(2-pyridylmethyl)piperidin-1-ium-4-yl]piperidin-1-ium-3-amine CAS Name: (3S)-N-(3,4-dimethylphenyl)-1-[1-(2-pyridinylmethyl)-4-piperidin-1-iumyl]-3-piperidin-1-iumamine IUPAC Name: (3S)-N-(3,4-dimethylphenyl)-1-[1-(pyridin-2-ylmethyl)piperidin-1-ium-4-yl]piperidin-1-ium-3-amine Traditional Name: (3,4-dimethylphenyl)-[(3S)-1-[1-(2-pyridylmethyl)piperidin-1-ium-4-yl]piperidin-1-ium-3-yl]amine Formula: C24H36N4+2 MolecularWeight: 380.56944

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC2CCC[NH+](C2)C3CC[NH+](CC3)CC4=CC=CC=N4)C

Isomeric SMILES

CC1=C(C=C(C=C1)N[C@H]2CCC[NH+](C2)C3CC[NH+](CC3)CC4=CC=CC=N4)C

InChI

InChI=1S/C24H34N4/c1-19-8-9-21(16-20(19)2)26-23-7-5-13-28(18-23)24-10-14-27(15-11-24)17-22-6-3-4-12-25-22/h3-4,6,8-9,12,16,23-24,26H,5,7,10-11,13-15,17-18H2,1-2H3/p+2/t23-/m0/s1