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

Systemtic Name: 2-[4-[4-(4-carbamimidoylphenyl)piperazin-1-yl]-3-methyl-piperidin-1-yl]ethanoic acid Openeye Name: 2-[4-[4-(4-carbamimidoylphenyl)piperazin-1-yl]-3-methyl-1-piperidyl]acetic acid CAS Name: 2-[4-[4-(4-carbamimidoylphenyl)-1-piperazinyl]-3-methyl-1-piperidinyl]acetic acid IUPAC Name: 2-[4-[4-(4-carbamimidoylphenyl)piperazin-1-yl]-3-methylpiperidin-1-yl]acetic acid Traditional Name: 2-[4-[4-(4-amidinophenyl)piperazino]-3-methyl-piperidino]acetic acid Formula: C19H29N5O2 MolecularWeight: 359.46586

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Descriptors Computed from Structure

Canonical SMILES:

CC1CN(CCC1N2CCN(CC2)C3=CC=C(C=C3)C(=N)N)CC(=O)O

Isomeric SMILES

CC1CN(CCC1N2CCN(CC2)C3=CC=C(C=C3)C(=N)N)CC(=O)O

InChI

InChI=1S/C19H29N5O2/c1-14-12-22(13-18(25)26)7-6-17(14)24-10-8-23(9-11-24)16-4-2-15(3-5-16)19(20)21/h2-5,14,17H,6-13H2,1H3,(H3,20,21)(H,25,26)