[(3S)-1-[(3,5-dimethyl-1H-indol-2-yl)methyl]-3-(phenylmethyl)piperidin-1-ium-3-yl]methanol

Systemtic Name: [(3S)-1-[(3,5-dimethyl-1H-indol-2-yl)methyl]-3-(phenylmethyl)piperidin-1-ium-3-yl]methanol Openeye Name: [(3S)-3-benzyl-1-[(3,5-dimethyl-1H-indol-2-yl)methyl]piperidin-1-ium-3-yl]methanol CAS Name: [(3S)-1-[(3,5-dimethyl-1H-indol-2-yl)methyl]-3-(phenylmethyl)-3-piperidin-1-iumyl]methanol IUPAC Name: [(3S)-3-benzyl-1-[(3,5-dimethyl-1H-indol-2-yl)methyl]piperidin-1-ium-3-yl]methanol Traditional Name: [(3S)-3-benzyl-1-[(3,5-dimethyl-1H-indol-2-yl)methyl]piperidin-1-ium-3-yl]methanol Formula: C24H31N2O+ MolecularWeight: 363.51574

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)NC(=C2C)C[NH+]3CCCC(C3)(CC4=CC=CC=C4)CO

Isomeric SMILES

CC1=CC2=C(C=C1)NC(=C2C)C[NH+]3CCC[C@@](C3)(CC4=CC=CC=C4)CO

InChI

InChI=1S/C24H30N2O/c1-18-9-10-22-21(13-18)19(2)23(25-22)15-26-12-6-11-24(16-26,17-27)14-20-7-4-3-5-8-20/h3-5,7-10,13,25,27H,6,11-12,14-17H2,1-2H3/p+1/t24-/m0/s1