(3-carbamimidoylphenyl)-(cyclopropylmethylamino)-ethanoyl-(4-propan-2-ylphenyl)azanium hydrochloride

Systemtic Name: (3-carbamimidoylphenyl)-(cyclopropylmethylamino)-ethanoyl-(4-propan-2-ylphenyl)azanium hydrochloride Openeye Name: acetyl-(3-carbamimidoylphenyl)-(cyclopropylmethylamino)-(4-isopropylphenyl)ammonium hydrochloride CAS Name: acetyl-(3-carbamimidoylphenyl)-(cyclopropylmethylamino)-(4-propan-2-ylphenyl)ammonium hydrochloride IUPAC Name: acetyl-(3-carbamimidoylphenyl)-(cyclopropylmethylamino)-(4-propan-2-ylphenyl)azanium hydrochloride Traditional Name: acetyl-(3-amidinophenyl)-(cyclopropylmethylamino)-p-cumenyl-ammonium hydrochloride Formula: C22H30ClN4O+ MolecularWeight: 401.9528

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=C(C=C1)[N+](C2=CC=CC(=C2)C(=N)N)(C(=O)C)NCC3CC3.Cl

Isomeric SMILES

CC(C)C1=CC=C(C=C1)[N+](C2=CC=CC(=C2)C(=N)N)(C(=O)C)NCC3CC3.Cl

InChI

InChI=1S/C22H29N4O.ClH/c1-15(2)18-9-11-20(12-10-18)26(16(3)27,25-14-17-7-8-17)21-6-4-5-19(13-21)22(23)24;/h4-6,9-13,15,17,25H,7-8,14H2,1-3H3,(H3,23,24);1H/q+1;