2-[4-[4-(4-carbamimidoylphenyl)piperazin-1-yl]-1,2-diethyl-piperidin-3-yl]ethanoic acid

Systemtic Name: 2-[4-[4-(4-carbamimidoylphenyl)piperazin-1-yl]-1,2-diethyl-piperidin-3-yl]ethanoic acid Openeye Name: 2-[4-[4-(4-carbamimidoylphenyl)piperazin-1-yl]-1,2-diethyl-3-piperidyl]acetic acid CAS Name: 2-[4-[4-(4-carbamimidoylphenyl)-1-piperazinyl]-1,2-diethyl-3-piperidinyl]acetic acid IUPAC Name: 2-[4-[4-(4-carbamimidoylphenyl)piperazin-1-yl]-1,2-diethylpiperidin-3-yl]acetic acid Traditional Name: 2-[4-[4-(4-amidinophenyl)piperazino]-1,2-diethyl-3-piperidyl]acetic acid Formula: C22H35N5O2 MolecularWeight: 401.5456

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Descriptors Computed from Structure

Canonical SMILES:

CCC1C(C(CCN1CC)N2CCN(CC2)C3=CC=C(C=C3)C(=N)N)CC(=O)O

Isomeric SMILES

CCC1C(C(CCN1CC)N2CCN(CC2)C3=CC=C(C=C3)C(=N)N)CC(=O)O

InChI

InChI=1S/C22H35N5O2/c1-3-19-18(15-21(28)29)20(9-10-25(19)4-2)27-13-11-26(12-14-27)17-7-5-16(6-8-17)22(23)24/h5-8,18-20H,3-4,9-15H2,1-2H3,(H3,23,24)(H,28,29)