(2S,3R,4S,5S,6R)-4-butyl-3-methyl-2,6-diphenyl-5-propyl-piperidin-1-ium-4-ol

Systemtic Name: (2S,3R,4S,5S,6R)-4-butyl-3-methyl-2,6-diphenyl-5-propyl-piperidin-1-ium-4-ol Openeye Name: (2S,3R,4S,5S,6R)-4-butyl-3-methyl-2,6-diphenyl-5-propyl-piperidin-1-ium-4-ol CAS Name: (2S,3R,4S,5S,6R)-4-butyl-3-methyl-2,6-diphenyl-5-propyl-4-piperidin-1-iumol IUPAC Name: (2S,3R,4S,5S,6R)-4-butyl-3-methyl-2,6-diphenyl-5-propylpiperidin-1-ium-4-ol Traditional Name: (2S,3R,4S,5S,6R)-4-butyl-3-methyl-2,6-diphenyl-5-propyl-piperidin-1-ium-4-ol Formula: C25H36NO+ MolecularWeight: 366.55944

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1(C(C([NH2+]C(C1CCC)C2=CC=CC=C2)C3=CC=CC=C3)C)O

Isomeric SMILES

CCCC[C@@]1([C@@H]([C@H]([NH2+][C@H]([C@@H]1CCC)C2=CC=CC=C2)C3=CC=CC=C3)C)O

InChI

InChI=1S/C25H35NO/c1-4-6-18-25(27)19(3)23(20-14-9-7-10-15-20)26-24(22(25)13-5-2)21-16-11-8-12-17-21/h7-12,14-17,19,22-24,26-27H,4-6,13,18H2,1-3H3/p+1/t19-,22+,23+,24+,25+/m1/s1