methyl 2-[1-[[1-(4-carbamimidoylphenyl)piperidin-4-yl]methyl]piperidin-4-yl]ethanoate

Systemtic Name: methyl 2-[1-[[1-(4-carbamimidoylphenyl)piperidin-4-yl]methyl]piperidin-4-yl]ethanoate Openeye Name: methyl 2-[1-[[1-(4-carbamimidoylphenyl)-4-piperidyl]methyl]-4-piperidyl]acetate CAS Name: 2-[1-[[1-(4-carbamimidoylphenyl)-4-piperidinyl]methyl]-4-piperidinyl]acetic acid methyl ester IUPAC Name: methyl 2-[1-[[1-(4-carbamimidoylphenyl)piperidin-4-yl]methyl]piperidin-4-yl]acetate Traditional Name: 2-[1-[[1-(4-amidinophenyl)-4-piperidyl]methyl]-4-piperidyl]acetic acid methyl ester Formula: C21H32N4O2 MolecularWeight: 372.50438

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CC1CCN(CC1)CC2CCN(CC2)C3=CC=C(C=C3)C(=N)N

Isomeric SMILES

COC(=O)CC1CCN(CC1)CC2CCN(CC2)C3=CC=C(C=C3)C(=N)N

InChI

InChI=1S/C21H32N4O2/c1-27-20(26)14-16-6-10-24(11-7-16)15-17-8-12-25(13-9-17)19-4-2-18(3-5-19)21(22)23/h2-5,16-17H,6-15H2,1H3,(H3,22,23)