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

Systemtic Name: 4-[3-[(3-carbamimidoylphenyl)-methyl-amino]prop-1-ynyl]-N,2-dimethyl-N-prop-2-ynyl-benzamide hydrochloride Openeye Name: 4-[3-(3-carbamimidoyl-N-methyl-anilino)prop-1-ynyl]-N,2-dimethyl-N-prop-2-ynyl-benzamide hydrochloride CAS Name: 4-[3-(3-carbamimidoyl-N-methylanilino)prop-1-ynyl]-N,2-dimethyl-N-prop-2-ynylbenzamide hydrochloride IUPAC Name: 4-[3-(3-carbamimidoyl-N-methylanilino)prop-1-ynyl]-N,2-dimethyl-N-prop-2-ynylbenzamide hydrochloride Traditional Name: 4-[3-(3-amidino-N-methyl-anilino)prop-1-ynyl]-N,2-dimethyl-N-propargyl-benzamide hydrochloride Formula: C23H25ClN4O MolecularWeight: 408.9238

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)C#CCN(C)C2=CC=CC(=C2)C(=N)N)C(=O)N(C)CC#C.Cl

Isomeric SMILES

CC1=C(C=CC(=C1)C#CCN(C)C2=CC=CC(=C2)C(=N)N)C(=O)N(C)CC#C.Cl

InChI

InChI=1S/C23H24N4O.ClH/c1-5-13-27(4)23(28)21-12-11-18(15-17(21)2)8-7-14-26(3)20-10-6-9-19(16-20)22(24)25;/h1,6,9-12,15-16H,13-14H2,2-4H3,(H3,24,25);1H