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

Systemtic Name: (3-carbamimidoylphenyl)-(cyclopropylmethylamino)-ethanoyl-(4-propan-2-ylphenyl)azanium Openeye Name: acetyl-(3-carbamimidoylphenyl)-(cyclopropylmethylamino)-(4-isopropylphenyl)ammonium CAS Name: acetyl-(3-carbamimidoylphenyl)-(cyclopropylmethylamino)-(4-propan-2-ylphenyl)ammonium IUPAC Name: acetyl-(3-carbamimidoylphenyl)-(cyclopropylmethylamino)-(4-propan-2-ylphenyl)azanium Traditional Name: acetyl-(3-amidinophenyl)-(cyclopropylmethylamino)-p-cumenyl-ammonium Formula: C22H29N4O+ MolecularWeight: 365.49186

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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

Isomeric SMILES

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

InChI

InChI=1S/C22H29N4O/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)/q+1