N-[1-[2-(4-carbamimidoylphenyl)ethyl]pyrrolidin-3-yl]adamantane-1-carboxamide hydrochloride

Systemtic Name: N-[1-[2-(4-carbamimidoylphenyl)ethyl]pyrrolidin-3-yl]adamantane-1-carboxamide hydrochloride Openeye Name: N-[1-[2-(4-carbamimidoylphenyl)ethyl]pyrrolidin-3-yl]adamantane-1-carboxamide hydrochloride CAS Name: N-[1-[2-(4-carbamimidoylphenyl)ethyl]-3-pyrrolidinyl]-1-adamantanecarboxamide hydrochloride IUPAC Name: N-[1-[2-(4-carbamimidoylphenyl)ethyl]pyrrolidin-3-yl]adamantane-1-carboxamide hydrochloride Traditional Name: N-[1-[2-(4-amidinophenyl)ethyl]pyrrolidin-3-yl]adamantane-1-carboxamide hydrochloride Formula: C24H35ClN4O MolecularWeight: 431.0139

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC1NC(=O)C23CC4CC(C2)CC(C4)C3)CCC5=CC=C(C=C5)C(=N)N.Cl

Isomeric SMILES

C1CN(CC1NC(=O)C23CC4CC(C2)CC(C4)C3)CCC5=CC=C(C=C5)C(=N)N.Cl

InChI

InChI=1S/C24H34N4O.ClH/c25-22(26)20-3-1-16(2-4-20)5-7-28-8-6-21(15-28)27-23(29)24-12-17-9-18(13-24)11-19(10-17)14-24;/h1-4,17-19,21H,5-15H2,(H3,25,26)(H,27,29);1H