[4-[(3-chloranyl-1-benzothiophen-2-yl)carbonyl-[(3-pyridin-4-ylphenyl)methyl]amino]cyclohexyl]-methyl-azanium

Systemtic Name: [4-[(3-chloranyl-1-benzothiophen-2-yl)carbonyl-[(3-pyridin-4-ylphenyl)methyl]amino]cyclohexyl]-methyl-azanium Openeye Name: [4-[(3-chlorobenzothiophene-2-carbonyl)-[[3-(4-pyridyl)phenyl]methyl]amino]cyclohexyl]-methyl-ammonium CAS Name: [4-[[(3-chloro-1-benzothiophen-2-yl)-oxomethyl]-[(3-pyridin-4-ylphenyl)methyl]amino]cyclohexyl]-methylammonium IUPAC Name: [4-[(3-chloro-1-benzothiophene-2-carbonyl)-[(3-pyridin-4-ylphenyl)methyl]amino]cyclohexyl]-methylazanium Traditional Name: [4-[(3-chlorobenzothiophene-2-carbonyl)-[3-(4-pyridyl)benzyl]amino]cyclohexyl]-methyl-ammonium Formula: C28H29ClN3OS+ MolecularWeight: 491.06736

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Descriptors Computed from Structure

Canonical SMILES:

C[NH2+]C1CCC(CC1)N(CC2=CC=CC(=C2)C3=CC=NC=C3)C(=O)C4=C(C5=CC=CC=C5S4)Cl

Isomeric SMILES

C[NH2+]C1CCC(CC1)N(CC2=CC=CC(=C2)C3=CC=NC=C3)C(=O)C4=C(C5=CC=CC=C5S4)Cl

InChI

InChI=1S/C28H28ClN3OS/c1-30-22-9-11-23(12-10-22)32(28(33)27-26(29)24-7-2-3-8-25(24)34-27)18-19-5-4-6-21(17-19)20-13-15-31-16-14-20/h2-8,13-17,22-23,30H,9-12,18H2,1H3/p+1