8-[[4-(diphenylmethyl)piperidin-1-yl]methylideneamino]octan-2-one sulfate

Systemtic Name: 8-[[4-(diphenylmethyl)piperidin-1-yl]methylideneamino]octan-2-one sulfate Openeye Name: 8-[(4-benzhydryl-1-piperidyl)methyleneamino]octan-2-one sulfate CAS Name: 8-[[4-(diphenylmethyl)-1-piperidinyl]methylideneamino]-2-octanone sulfate IUPAC Name: 8-[(4-benzhydrylpiperidin-1-yl)methylideneamino]octan-2-one sulfate Traditional Name: 8-[(4-benzhydrylpiperidino)methyleneamino]octan-2-one sulfate Formula: C27H36N2O5S-2 MolecularWeight: 500.65014

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)CCCCCCN=CN1CCC(CC1)C(C2=CC=CC=C2)C3=CC=CC=C3.[O-]S(=O)(=O)[O-]

Isomeric SMILES

CC(=O)CCCCCCN=CN1CCC(CC1)C(C2=CC=CC=C2)C3=CC=CC=C3.[O-]S(=O)(=O)[O-]

InChI

InChI=1S/C27H36N2O.H2O4S/c1-23(30)12-6-2-3-11-19-28-22-29-20-17-26(18-21-29)27(24-13-7-4-8-14-24)25-15-9-5-10-16-25;1-5(2,3)4/h4-5,7-10,13-16,22,26-27H,2-3,6,11-12,17-21H2,1H3;(H2,1,2,3,4)/p-2