N-[3-[(4-phenylpiperazin-1-ium-1-yl)methyl]-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]ethanamide

Systemtic Name: N-[3-[(4-phenylpiperazin-1-ium-1-yl)methyl]-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]ethanamide Openeye Name: N-[3-[(4-phenylpiperazin-1-ium-1-yl)methyl]-4,5,6,7-tetrahydrobenzothiophen-2-yl]acetamide CAS Name: N-[3-[(4-phenyl-1-piperazin-1-iumyl)methyl]-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]acetamide IUPAC Name: N-[3-[(4-phenylpiperazin-1-ium-1-yl)methyl]-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]acetamide Traditional Name: N-[3-[(4-phenylpiperazin-1-ium-1-yl)methyl]-4,5,6,7-tetrahydrobenzothiophen-2-yl]acetamide Formula: C21H28N3OS+ MolecularWeight: 370.53152

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=C(C2=C(S1)CCCC2)C[NH+]3CCN(CC3)C4=CC=CC=C4

Isomeric SMILES

CC(=O)NC1=C(C2=C(S1)CCCC2)C[NH+]3CCN(CC3)C4=CC=CC=C4

InChI

InChI=1S/C21H27N3OS/c1-16(25)22-21-19(18-9-5-6-10-20(18)26-21)15-23-11-13-24(14-12-23)17-7-3-2-4-8-17/h2-4,7-8H,5-6,9-15H2,1H3,(H,22,25)/p+1