3-chloranyl-6-methyl-N-[[1-(phenylmethyl)piperidin-1-ium-4-ylidene]amino]-1-benzothiophene-2-carboxamide

Systemtic Name: 3-chloranyl-6-methyl-N-[[1-(phenylmethyl)piperidin-1-ium-4-ylidene]amino]-1-benzothiophene-2-carboxamide Openeye Name: N-[(1-benzylpiperidin-1-ium-4-ylidene)amino]-3-chloro-6-methyl-benzothiophene-2-carboxamide CAS Name: 3-chloro-6-methyl-N-[[1-(phenylmethyl)-4-piperidin-1-iumylidene]amino]-1-benzothiophene-2-carboxamide IUPAC Name: N-[(1-benzylpiperidin-1-ium-4-ylidene)amino]-3-chloro-6-methyl-1-benzothiophene-2-carboxamide Traditional Name: N-[(1-benzylpiperidin-1-ium-4-ylidene)amino]-3-chloro-6-methyl-benzothiophene-2-carboxamide Formula: C22H23ClN3OS+ MolecularWeight: 412.95552

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)C(=C(S2)C(=O)NN=C3CC[NH+](CC3)CC4=CC=CC=C4)Cl

Isomeric SMILES

CC1=CC2=C(C=C1)C(=C(S2)C(=O)NN=C3CC[NH+](CC3)CC4=CC=CC=C4)Cl

InChI

InChI=1S/C22H22ClN3OS/c1-15-7-8-18-19(13-15)28-21(20(18)23)22(27)25-24-17-9-11-26(12-10-17)14-16-5-3-2-4-6-16/h2-8,13H,9-12,14H2,1H3,(H,25,27)/p+1