4-[3-[(3-carbamimidoylphenyl)-methyl-amino]prop-1-ynyl]-N-ethyl-N,2-dimethyl-benzamide hydrochloride

Systemtic Name: 4-[3-[(3-carbamimidoylphenyl)-methyl-amino]prop-1-ynyl]-N-ethyl-N,2-dimethyl-benzamide hydrochloride Openeye Name: 4-[3-(3-carbamimidoyl-N-methyl-anilino)prop-1-ynyl]-N-ethyl-N,2-dimethyl-benzamide hydrochloride CAS Name: 4-[3-(3-carbamimidoyl-N-methylanilino)prop-1-ynyl]-N-ethyl-N,2-dimethylbenzamide hydrochloride IUPAC Name: 4-[3-(3-carbamimidoyl-N-methylanilino)prop-1-ynyl]-N-ethyl-N,2-dimethylbenzamide hydrochloride Traditional Name: 4-[3-(3-amidino-N-methyl-anilino)prop-1-ynyl]-N-ethyl-N,2-dimethyl-benzamide hydrochloride Formula: C22H27ClN4O MolecularWeight: 398.92898

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Descriptors Computed from Structure

Canonical SMILES:

CCN(C)C(=O)C1=C(C=C(C=C1)C#CCN(C)C2=CC=CC(=C2)C(=N)N)C.Cl

Isomeric SMILES

CCN(C)C(=O)C1=C(C=C(C=C1)C#CCN(C)C2=CC=CC(=C2)C(=N)N)C.Cl

InChI

InChI=1S/C22H26N4O.ClH/c1-5-25(3)22(27)20-12-11-17(14-16(20)2)8-7-13-26(4)19-10-6-9-18(15-19)21(23)24;/h6,9-12,14-15H,5,13H2,1-4H3,(H3,23,24);1H