(3R,4R)-4-(azepan-1-ium-1-yl)-1-[(2-methylphenyl)methyl]piperidin-1-ium-3-ol

Systemtic Name: (3R,4R)-4-(azepan-1-ium-1-yl)-1-[(2-methylphenyl)methyl]piperidin-1-ium-3-ol Openeye Name: (3R,4R)-4-(azepan-1-ium-1-yl)-1-(o-tolylmethyl)piperidin-1-ium-3-ol CAS Name: (3R,4R)-4-(1-azepan-1-iumyl)-1-[(2-methylphenyl)methyl]-3-piperidin-1-iumol IUPAC Name: (3R,4R)-4-(azepan-1-ium-1-yl)-1-[(2-methylphenyl)methyl]piperidin-1-ium-3-ol Traditional Name: (3R,4R)-4-(azepan-1-ium-1-yl)-1-(2-methylbenzyl)piperidin-1-ium-3-ol Formula: C19H32N2O+2 MolecularWeight: 304.47018

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C[NH+]2CCC(C(C2)O)[NH+]3CCCCCC3

Isomeric SMILES

CC1=CC=CC=C1C[NH+]2CC[C@H]([C@@H](C2)O)[NH+]3CCCCCC3

InChI

InChI=1S/C19H30N2O/c1-16-8-4-5-9-17(16)14-20-13-10-18(19(22)15-20)21-11-6-2-3-7-12-21/h4-5,8-9,18-19,22H,2-3,6-7,10-15H2,1H3/p+2/t18-,19-/m1/s1