(3-carbamimidoylphenyl)-ethanoyl-[(4-ethylphenyl)methylamino]-(4-propan-2-yloxyphenyl)azanium

Systemtic Name: (3-carbamimidoylphenyl)-ethanoyl-[(4-ethylphenyl)methylamino]-(4-propan-2-yloxyphenyl)azanium Openeye Name: acetyl-(3-carbamimidoylphenyl)-[(4-ethylphenyl)methylamino]-(4-isopropoxyphenyl)ammonium CAS Name: acetyl-(3-carbamimidoylphenyl)-[(4-ethylphenyl)methylamino]-(4-propan-2-yloxyphenyl)ammonium IUPAC Name: acetyl-(3-carbamimidoylphenyl)-[(4-ethylphenyl)methylamino]-(4-propan-2-yloxyphenyl)azanium Traditional Name: acetyl-(3-amidinophenyl)-[(4-ethylbenzyl)amino]-(4-isopropoxyphenyl)ammonium Formula: C27H33N4O2+ MolecularWeight: 445.57652

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)CN[N+](C2=CC=C(C=C2)OC(C)C)(C3=CC=CC(=C3)C(=N)N)C(=O)C

Isomeric SMILES

CCC1=CC=C(C=C1)CN[N+](C2=CC=C(C=C2)OC(C)C)(C3=CC=CC(=C3)C(=N)N)C(=O)C

InChI

InChI=1S/C27H33N4O2/c1-5-21-9-11-22(12-10-21)18-30-31(20(4)32,25-8-6-7-23(17-25)27(28)29)24-13-15-26(16-14-24)33-19(2)3/h6-17,19,30H,5,18H2,1-4H3,(H3,28,29)/q+1