(1S,3aS)-2-(3,5-dimethylphenyl)-1-piperidin-1-yl-3a,4,5,6-tetrahydro-3H-pyrrolo[1,2-c][1,3,2]diazaphosphole 1-oxide

Systemtic Name: (1S,3aS)-2-(3,5-dimethylphenyl)-1-piperidin-1-yl-3a,4,5,6-tetrahydro-3H-pyrrolo[1,2-c][1,3,2]diazaphosphole 1-oxide Openeye Name: (1S,3aS)-2-(3,5-dimethylphenyl)-1-(1-piperidyl)-3a,4,5,6-tetrahydro-3H-pyrrolo[1,2-c][1,3,2]diazaphosphole 1-oxide CAS Name: (1S,3aS)-2-(3,5-dimethylphenyl)-1-(1-piperidinyl)-3a,4,5,6-tetrahydro-3H-pyrrolo[1,2-c][1,3,2]diazaphosphole 1-oxide IUPAC Name: (1S,3aS)-2-(3,5-dimethylphenyl)-1-piperidin-1-yl-3a,4,5,6-tetrahydro-3H-pyrrolo[1,2-c][1,3,2]diazaphosphole 1-oxide Traditional Name: (1S,3aS)-2-(3,5-dimethylphenyl)-1-piperidino-3a,4,5,6-tetrahydro-3H-pyrrolo[1,2-c][1,3,2]diazaphosphole 1-oxide Formula: C18H28N3OP MolecularWeight: 333.408181

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)N2CC3CCCN3P2(=O)N4CCCCC4)C

Isomeric SMILES

CC1=CC(=CC(=C1)N2C[C@@H]3CCCN3[P@@]2(=O)N4CCCCC4)C

InChI

InChI=1S/C18H28N3OP/c1-15-11-16(2)13-18(12-15)21-14-17-7-6-10-20(17)23(21,22)19-8-4-3-5-9-19/h11-13,17H,3-10,14H2,1-2H3/t17-,23-/m0/s1