[1-(phenylmethyl)piperidin-1-ium-4-yl]-[[3-(pyridin-2-ylcarbonylamino)-5-pyrrolidin-1-ylcarbonyl-phenyl]methyl]azanium

Systemtic Name: [1-(phenylmethyl)piperidin-1-ium-4-yl]-[[3-(pyridin-2-ylcarbonylamino)-5-pyrrolidin-1-ylcarbonyl-phenyl]methyl]azanium Openeye Name: (1-benzylpiperidin-1-ium-4-yl)-[[3-(pyridine-2-carbonylamino)-5-(pyrrolidine-1-carbonyl)phenyl]methyl]ammonium CAS Name: [3-[[oxo(2-pyridinyl)methyl]amino]-5-[oxo(1-pyrrolidinyl)methyl]phenyl]methyl-[1-(phenylmethyl)-4-piperidin-1-iumyl]ammonium IUPAC Name: (1-benzylpiperidin-1-ium-4-yl)-[[3-(pyridine-2-carbonylamino)-5-(pyrrolidine-1-carbonyl)phenyl]methyl]azanium Traditional Name: (1-benzylpiperidin-1-ium-4-yl)-[3-picolinamido-5-(pyrrolidine-1-carbonyl)benzyl]ammonium Formula: C30H37N5O2+2 MolecularWeight: 499.64708

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C(=O)C2=CC(=CC(=C2)NC(=O)C3=CC=CC=N3)C[NH2+]C4CC[NH+](CC4)CC5=CC=CC=C5

Isomeric SMILES

C1CCN(C1)C(=O)C2=CC(=CC(=C2)NC(=O)C3=CC=CC=N3)C[NH2+]C4CC[NH+](CC4)CC5=CC=CC=C5

InChI

InChI=1S/C30H35N5O2/c36-29(28-10-4-5-13-31-28)33-27-19-24(18-25(20-27)30(37)35-14-6-7-15-35)21-32-26-11-16-34(17-12-26)22-23-8-2-1-3-9-23/h1-5,8-10,13,18-20,26,32H,6-7,11-12,14-17,21-22H2,(H,33,36)/p+2