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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=CC=C1)C[NH+]2CCCC(C2)N(C)CCC3=CC=CC=C3

Isomeric SMILES

CC1=NC(=CC=C1)C[NH+]2CCC[C@@H](C2)N(C)CCC3=CC=CC=C3

InChI

InChI=1S/C21H29N3/c1-18-8-6-11-20(22-18)16-24-14-7-12-21(17-24)23(2)15-13-19-9-4-3-5-10-19/h3-6,8-11,21H,7,12-17H2,1-2H3/p+1/t21-/m0/s1