3-[5-[[(4-chlorophenyl)carbamoylamino]carbamoyl]pyridin-3-yl]prop-2-ynyl-dimethyl-azanium

Systemtic Name: 3-[5-[[(4-chlorophenyl)carbamoylamino]carbamoyl]pyridin-3-yl]prop-2-ynyl-dimethyl-azanium Openeye Name: 3-[5-[[(4-chlorophenyl)carbamoylamino]carbamoyl]-3-pyridyl]prop-2-ynyl-dimethyl-ammonium CAS Name: 3-[5-[[[(4-chloroanilino)-oxomethyl]hydrazo]-oxomethyl]-3-pyridinyl]prop-2-ynyl-dimethylammonium IUPAC Name: 3-[5-[[(4-chlorophenyl)carbamoylamino]carbamoyl]pyridin-3-yl]prop-2-ynyl-dimethylazanium Traditional Name: 3-[5-[[(4-chlorophenyl)carbamoylamino]carbamoyl]-3-pyridyl]prop-2-ynyl-dimethyl-ammonium Formula: C18H19ClN5O2+ MolecularWeight: 372.82876

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)CC#CC1=CC(=CN=C1)C(=O)NNC(=O)NC2=CC=C(C=C2)Cl

Isomeric SMILES

C[NH+](C)CC#CC1=CC(=CN=C1)C(=O)NNC(=O)NC2=CC=C(C=C2)Cl

InChI

InChI=1S/C18H18ClN5O2/c1-24(2)9-3-4-13-10-14(12-20-11-13)17(25)22-23-18(26)21-16-7-5-15(19)6-8-16/h5-8,10-12H,9H2,1-2H3,(H,22,25)(H2,21,23,26)/p+1