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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCC1(C(C(CCN1N2CCNCC2)C3=CC=C(C=C3)C(=N)N)CC(=O)O)CC

Isomeric SMILES

CCC1(C(C(CCN1N2CCNCC2)C3=CC=C(C=C3)C(=N)N)CC(=O)O)CC

InChI

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