2-(phenylmethyl)-8-(2-piperidin-4-ylethyl)-2-sulfanyl-1,3,4,5-tetrahydro-2-benzazepin-2-ium

Systemtic Name: 2-(phenylmethyl)-8-(2-piperidin-4-ylethyl)-2-sulfanyl-1,3,4,5-tetrahydro-2-benzazepin-2-ium Openeye Name: 2-benzyl-8-[2-(4-piperidyl)ethyl]-2-sulfanyl-1,3,4,5-tetrahydro-2-benzazepin-2-ium CAS Name: 2-mercapto-2-(phenylmethyl)-8-[2-(4-piperidinyl)ethyl]-1,3,4,5-tetrahydro-2-benzazepin-2-ium IUPAC Name: 2-benzyl-8-(2-piperidin-4-ylethyl)-2-sulfanyl-1,3,4,5-tetrahydro-2-benzazepin-2-ium Traditional Name: 2-benzyl-2-mercapto-8-[2-(4-piperidyl)ethyl]-1,3,4,5-tetrahydro-2-benzazepin-2-ium Formula: C24H33N2S+ MolecularWeight: 381.59722

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Descriptors Computed from Structure

Canonical SMILES:

C1CC2=C(C[N+](C1)(CC3=CC=CC=C3)S)C=C(C=C2)CCC4CCNCC4

Isomeric SMILES

C1CC2=C(C[N+](C1)(CC3=CC=CC=C3)S)C=C(C=C2)CCC4CCNCC4

InChI

InChI=1S/C24H33N2S/c27-26(18-22-5-2-1-3-6-22)16-4-7-23-11-10-21(17-24(23)19-26)9-8-20-12-14-25-15-13-20/h1-3,5-6,10-11,17,20,25,27H,4,7-9,12-16,18-19H2/q+1