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

Systemtic Name: (3S)-1-[(6-methylpyridin-2-yl)methyl]-N-(4-propan-2-ylphenyl)piperidin-1-ium-3-amine Openeye Name: (3S)-N-(4-isopropylphenyl)-1-[(6-methyl-2-pyridyl)methyl]piperidin-1-ium-3-amine CAS Name: (3S)-1-[(6-methyl-2-pyridinyl)methyl]-N-(4-propan-2-ylphenyl)-3-piperidin-1-iumamine IUPAC Name: (3S)-1-[(6-methylpyridin-2-yl)methyl]-N-(4-propan-2-ylphenyl)piperidin-1-ium-3-amine Traditional Name: [(3S)-1-[(6-methyl-2-pyridyl)methyl]piperidin-1-ium-3-yl]-p-cumenyl-amine Formula: C21H30N3+ MolecularWeight: 324.483

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=CC=C1)C[NH+]2CCCC(C2)NC3=CC=C(C=C3)C(C)C

Isomeric SMILES

CC1=NC(=CC=C1)C[NH+]2CCC[C@@H](C2)NC3=CC=C(C=C3)C(C)C

InChI

InChI=1S/C21H29N3/c1-16(2)18-9-11-19(12-10-18)23-21-8-5-13-24(15-21)14-20-7-4-6-17(3)22-20/h4,6-7,9-12,16,21,23H,5,8,13-15H2,1-3H3/p+1/t21-/m0/s1