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

Systemtic Name: [(6R)-6-tert-butyl-2-(2,5-dimethylpyrrol-1-yl)-4,5,6,7-tetrahydro-1-benzothiophen-3-yl]methylazanium Openeye Name: [(6R)-6-tert-butyl-2-(2,5-dimethylpyrrol-1-yl)-4,5,6,7-tetrahydrobenzothiophen-3-yl]methylammonium CAS Name: [(6R)-6-tert-butyl-2-(2,5-dimethyl-1-pyrrolyl)-4,5,6,7-tetrahydro-1-benzothiophen-3-yl]methylammonium IUPAC Name: [(6R)-6-tert-butyl-2-(2,5-dimethylpyrrol-1-yl)-4,5,6,7-tetrahydro-1-benzothiophen-3-yl]methylazanium Traditional Name: [(6R)-6-tert-butyl-2-(2,5-dimethylpyrrol-1-yl)-4,5,6,7-tetrahydrobenzothiophen-3-yl]methylammonium Formula: C19H29N2S+ MolecularWeight: 317.51196

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(N1C2=C(C3=C(S2)CC(CC3)C(C)(C)C)C[NH3+])C

Isomeric SMILES

CC1=CC=C(N1C2=C(C3=C(S2)C[C@@H](CC3)C(C)(C)C)C[NH3+])C

InChI

InChI=1S/C19H28N2S/c1-12-6-7-13(2)21(12)18-16(11-20)15-9-8-14(19(3,4)5)10-17(15)22-18/h6-7,14H,8-11,20H2,1-5H3/p+1/t14-/m1/s1