1-[4-(diphenylmethyl)piperidin-1-yl]-N-(2-pyridin-4-ylethyl)methanimine; naphthalene-2-sulfonic acid; hydrate

Systemtic Name: 1-[4-(diphenylmethyl)piperidin-1-yl]-N-(2-pyridin-4-ylethyl)methanimine; naphthalene-2-sulfonic acid; hydrate Openeye Name: 1-(4-benzhydryl-1-piperidyl)-N-[2-(4-pyridyl)ethyl]methanimine; naphthalene-2-sulfonic acid; hydrate CAS Name: 1-[4-(diphenylmethyl)-1-piperidinyl]-N-(2-pyridin-4-ylethyl)methanimine; 2-naphthalenesulfonic acid; hydrate IUPAC Name: 1-(4-benzhydrylpiperidin-1-yl)-N-(2-pyridin-4-ylethyl)methanimine; naphthalene-2-sulfonic acid; hydrate Traditional Name: (4-benzhydrylpiperidino)methylene-[2-(4-pyridyl)ethyl]amine; naphthalene-2-sulfonic acid; hydrate Formula: C36H39N3O4S MolecularWeight: 609.77756

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(C2=CC=CC=C2)C3=CC=CC=C3)C=NCCC4=CC=NC=C4.C1=CC=C2C=C(C=CC2=C1)S(=O)(=O)O.O

Isomeric SMILES

C1CN(CCC1C(C2=CC=CC=C2)C3=CC=CC=C3)C=NCCC4=CC=NC=C4.C1=CC=C2C=C(C=CC2=C1)S(=O)(=O)O.O

InChI

InChI=1S/C26H29N3.C10H8O3S.H2O/c1-3-7-23(8-4-1)26(24-9-5-2-6-10-24)25-14-19-29(20-15-25)21-28-18-13-22-11-16-27-17-12-22;11-14(12,13)10-6-5-8-3-1-2-4-9(8)7-10;/h1-12,16-17,21,25-26H,13-15,18-20H2;1-7H,(H,11,12,13);1H2