1-methyl-4-phenyl-3-propan-2-ylidene-piperidine; naphthalene-1,5-disulfonate

Systemtic Name: 1-methyl-4-phenyl-3-propan-2-ylidene-piperidine; naphthalene-1,5-disulfonate Openeye Name: 3-isopropylidene-1-methyl-4-phenyl-piperidine; naphthalene-1,5-disulfonate CAS Name: 1-methyl-4-phenyl-3-propan-2-ylidenepiperidine; naphthalene-1,5-disulfonate IUPAC Name: 1-methyl-4-phenyl-3-propan-2-ylidenepiperidine; naphthalene-1,5-disulfonate Traditional Name: 3-isopropylidene-1-methyl-4-phenyl-piperidine; naphthalene-1,5-disulfonate Formula: C40H48N2O6S2-2 MolecularWeight: 716.94892

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Descriptors Computed from Structure

Canonical SMILES:

CC(=C1CN(CCC1C2=CC=CC=C2)C)C.CC(=C1CN(CCC1C2=CC=CC=C2)C)C.C1=CC2=C(C=CC=C2S(=O)(=O)[O-])C(=C1)S(=O)(=O)[O-]

Isomeric SMILES

CC(=C1CN(CCC1C2=CC=CC=C2)C)C.CC(=C1CN(CCC1C2=CC=CC=C2)C)C.C1=CC2=C(C=CC=C2S(=O)(=O)[O-])C(=C1)S(=O)(=O)[O-]

InChI

InChI=1S/2C15H21N.C10H8O6S2/c2*1-12(2)15-11-16(3)10-9-14(15)13-7-5-4-6-8-13;11-17(12,13)9-5-1-3-7-8(9)4-2-6-10(7)18(14,15)16/h2*4-8,14H,9-11H2,1-3H3;1-6H,(H,11,12,13)(H,14,15,16)/p-2