[(6S)-6-tert-butyl-2-pyrrol-1-yl-4,5,6,7-tetrahydro-1-benzothiophen-3-yl]methylazanium

Systemtic Name: [(6S)-6-tert-butyl-2-pyrrol-1-yl-4,5,6,7-tetrahydro-1-benzothiophen-3-yl]methylazanium Openeye Name: [(6S)-6-tert-butyl-2-pyrrol-1-yl-4,5,6,7-tetrahydrobenzothiophen-3-yl]methylammonium CAS Name: [(6S)-6-tert-butyl-2-(1-pyrrolyl)-4,5,6,7-tetrahydro-1-benzothiophen-3-yl]methylammonium IUPAC Name: [(6S)-6-tert-butyl-2-pyrrol-1-yl-4,5,6,7-tetrahydro-1-benzothiophen-3-yl]methylazanium Traditional Name: [(6S)-6-tert-butyl-2-pyrrol-1-yl-4,5,6,7-tetrahydrobenzothiophen-3-yl]methylammonium Formula: C17H25N2S+ MolecularWeight: 289.4588

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1CCC2=C(C1)SC(=C2C[NH3+])N3C=CC=C3

Isomeric SMILES

CC(C)(C)[C@H]1CCC2=C(C1)SC(=C2C[NH3+])N3C=CC=C3

InChI

InChI=1S/C17H24N2S/c1-17(2,3)12-6-7-13-14(11-18)16(20-15(13)10-12)19-8-4-5-9-19/h4-5,8-9,12H,6-7,10-11,18H2,1-3H3/p+1/t12-/m0/s1