[(R)-(3-benzamido-4,6-dimethyl-thieno[2,3-b]pyridin-2-yl)-phenyl-methyl]-butyl-azanium

Systemtic Name: [(R)-(3-benzamido-4,6-dimethyl-thieno[2,3-b]pyridin-2-yl)-phenyl-methyl]-butyl-azanium Openeye Name: [(R)-(3-benzamido-4,6-dimethyl-thieno[2,3-b]pyridin-2-yl)-phenyl-methyl]-butyl-ammonium CAS Name: [(R)-(3-benzamido-4,6-dimethyl-2-thieno[2,3-b]pyridinyl)-phenylmethyl]-butylammonium IUPAC Name: [(R)-(3-benzamido-4,6-dimethylthieno[2,3-b]pyridin-2-yl)-phenylmethyl]-butylazanium Traditional Name: [(R)-(3-benzamido-4,6-dimethyl-thieno[2,3-b]pyridin-2-yl)-phenyl-methyl]-butyl-ammonium Formula: C27H30N3OS+ MolecularWeight: 444.6116

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Descriptors Computed from Structure

Canonical SMILES:

CCCC[NH2+]C(C1=CC=CC=C1)C2=C(C3=C(S2)N=C(C=C3C)C)NC(=O)C4=CC=CC=C4

Isomeric SMILES

CCCC[NH2+][C@H](C1=CC=CC=C1)C2=C(C3=C(S2)N=C(C=C3C)C)NC(=O)C4=CC=CC=C4

InChI

InChI=1S/C27H29N3OS/c1-4-5-16-28-23(20-12-8-6-9-13-20)25-24(30-26(31)21-14-10-7-11-15-21)22-18(2)17-19(3)29-27(22)32-25/h6-15,17,23,28H,4-5,16H2,1-3H3,(H,30,31)/p+1/t23-/m1/s1