N-[(6R)-6-methyl-3-(pyrrolidin-1-ium-1-ylmethyl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]benzamide

Systemtic Name: N-[(6R)-6-methyl-3-(pyrrolidin-1-ium-1-ylmethyl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]benzamide Openeye Name: N-[(6R)-6-methyl-3-(pyrrolidin-1-ium-1-ylmethyl)-4,5,6,7-tetrahydrobenzothiophen-2-yl]benzamide CAS Name: N-[(6R)-6-methyl-3-(1-pyrrolidin-1-iumylmethyl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]benzamide IUPAC Name: N-[(6R)-6-methyl-3-(pyrrolidin-1-ium-1-ylmethyl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]benzamide Traditional Name: N-[(6R)-6-methyl-3-(pyrrolidin-1-ium-1-ylmethyl)-4,5,6,7-tetrahydrobenzothiophen-2-yl]benzamide Formula: C21H27N2OS+ MolecularWeight: 355.51688

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC2=C(C1)SC(=C2C[NH+]3CCCC3)NC(=O)C4=CC=CC=C4

Isomeric SMILES

C[C@@H]1CCC2=C(C1)SC(=C2C[NH+]3CCCC3)NC(=O)C4=CC=CC=C4

InChI

InChI=1S/C21H26N2OS/c1-15-9-10-17-18(14-23-11-5-6-12-23)21(25-19(17)13-15)22-20(24)16-7-3-2-4-8-16/h2-4,7-8,15H,5-6,9-14H2,1H3,(H,22,24)/p+1/t15-/m1/s1