[(3-carbamimidoylphenyl)amino]-ethanoyl-(4-propan-2-yloxyphenyl)-prop-2-enyl-azanium

Systemtic Name: [(3-carbamimidoylphenyl)amino]-ethanoyl-(4-propan-2-yloxyphenyl)-prop-2-enyl-azanium Openeye Name: acetyl-allyl-(3-carbamimidoylanilino)-(4-isopropoxyphenyl)ammonium CAS Name: acetyl-(3-carbamimidoylanilino)-(4-propan-2-yloxyphenyl)-prop-2-enylammonium IUPAC Name: acetyl-(3-carbamimidoylanilino)-(4-propan-2-yloxyphenyl)-prop-2-enylazanium Traditional Name: acetyl-allyl-(3-amidinoanilino)-(4-isopropoxyphenyl)ammonium Formula: C21H27N4O2+ MolecularWeight: 367.46468

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC1=CC=C(C=C1)[N+](CC=C)(C(=O)C)NC2=CC=CC(=C2)C(=N)N

Isomeric SMILES

CC(C)OC1=CC=C(C=C1)[N+](CC=C)(C(=O)C)NC2=CC=CC(=C2)C(=N)N

InChI

InChI=1S/C21H27N4O2/c1-5-13-25(16(4)26,19-9-11-20(12-10-19)27-15(2)3)24-18-8-6-7-17(14-18)21(22)23/h5-12,14-15,24H,1,13H2,2-4H3,(H3,22,23)/q+1