diethyl-[[2-[(4-methoxyphenyl)carbonylamino]-4,5,6,7-tetrahydro-1-benzothiophen-3-yl]methyl]azanium

Systemtic Name: diethyl-[[2-[(4-methoxyphenyl)carbonylamino]-4,5,6,7-tetrahydro-1-benzothiophen-3-yl]methyl]azanium Openeye Name: diethyl-[[2-[(4-methoxybenzoyl)amino]-4,5,6,7-tetrahydrobenzothiophen-3-yl]methyl]ammonium CAS Name: diethyl-[[2-[[(4-methoxyphenyl)-oxomethyl]amino]-4,5,6,7-tetrahydro-1-benzothiophen-3-yl]methyl]ammonium IUPAC Name: diethyl-[[2-[(4-methoxybenzoyl)amino]-4,5,6,7-tetrahydro-1-benzothiophen-3-yl]methyl]azanium Traditional Name: diethyl-[[2-(p-anisoylamino)-4,5,6,7-tetrahydrobenzothiophen-3-yl]methyl]ammonium Formula: C21H29N2O2S+ MolecularWeight: 373.53216

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CC)CC1=C(SC2=C1CCCC2)NC(=O)C3=CC=C(C=C3)OC

Isomeric SMILES

CC[NH+](CC)CC1=C(SC2=C1CCCC2)NC(=O)C3=CC=C(C=C3)OC

InChI

InChI=1S/C21H28N2O2S/c1-4-23(5-2)14-18-17-8-6-7-9-19(17)26-21(18)22-20(24)15-10-12-16(25-3)13-11-15/h10-13H,4-9,14H2,1-3H3,(H,22,24)/p+1