[1-(3-azanylpropanoyl)-3-methyl-piperidin-4-yl] 4-carbamimidoylbenzoate

Systemtic Name: [1-(3-azanylpropanoyl)-3-methyl-piperidin-4-yl] 4-carbamimidoylbenzoate Openeye Name: [1-(3-aminopropanoyl)-3-methyl-4-piperidyl] 4-carbamimidoylbenzoate CAS Name: 4-carbamimidoylbenzoic acid [1-(3-amino-1-oxopropyl)-3-methyl-4-piperidinyl] ester IUPAC Name: [1-(3-aminopropanoyl)-3-methylpiperidin-4-yl] 4-carbamimidoylbenzoate Traditional Name: 4-amidinobenzoic acid [1-(3-aminopropanoyl)-3-methyl-4-piperidyl] ester Formula: C17H24N4O3 MolecularWeight: 332.39746

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Descriptors Computed from Structure

Canonical SMILES:

CC1CN(CCC1OC(=O)C2=CC=C(C=C2)C(=N)N)C(=O)CCN

Isomeric SMILES

CC1CN(CCC1OC(=O)C2=CC=C(C=C2)C(=N)N)C(=O)CCN

InChI

InChI=1S/C17H24N4O3/c1-11-10-21(15(22)6-8-18)9-7-14(11)24-17(23)13-4-2-12(3-5-13)16(19)20/h2-5,11,14H,6-10,18H2,1H3,(H3,19,20)