(3S)-N-(3,4-dimethylphenyl)-1-[(6-methylpyridin-2-yl)methyl]piperidin-1-ium-3-amine

Systemtic Name: (3S)-N-(3,4-dimethylphenyl)-1-[(6-methylpyridin-2-yl)methyl]piperidin-1-ium-3-amine Openeye Name: (3S)-N-(3,4-dimethylphenyl)-1-[(6-methyl-2-pyridyl)methyl]piperidin-1-ium-3-amine CAS Name: (3S)-N-(3,4-dimethylphenyl)-1-[(6-methyl-2-pyridinyl)methyl]-3-piperidin-1-iumamine IUPAC Name: (3S)-N-(3,4-dimethylphenyl)-1-[(6-methylpyridin-2-yl)methyl]piperidin-1-ium-3-amine Traditional Name: (3,4-dimethylphenyl)-[(3S)-1-[(6-methyl-2-pyridyl)methyl]piperidin-1-ium-3-yl]amine Formula: C20H28N3+ MolecularWeight: 310.45642

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC2CCC[NH+](C2)CC3=CC=CC(=N3)C)C

Isomeric SMILES

CC1=C(C=C(C=C1)N[C@H]2CCC[NH+](C2)CC3=CC=CC(=N3)C)C

InChI

InChI=1S/C20H27N3/c1-15-9-10-18(12-16(15)2)22-20-8-5-11-23(14-20)13-19-7-4-6-17(3)21-19/h4,6-7,9-10,12,20,22H,5,8,11,13-14H2,1-3H3/p+1/t20-/m0/s1