N-cyclopropyl-N-[3-oxidanylidene-3-[[1-(phenylmethyl)piperidin-1-ium-4-yl]amino]propyl]pyrazine-2-carboxamide

Systemtic Name: N-cyclopropyl-N-[3-oxidanylidene-3-[[1-(phenylmethyl)piperidin-1-ium-4-yl]amino]propyl]pyrazine-2-carboxamide Openeye Name: N-[3-[(1-benzylpiperidin-1-ium-4-yl)amino]-3-oxo-propyl]-N-cyclopropyl-pyrazine-2-carboxamide CAS Name: N-cyclopropyl-N-[3-oxo-3-[[1-(phenylmethyl)-4-piperidin-1-iumyl]amino]propyl]-2-pyrazinecarboxamide IUPAC Name: N-[3-[(1-benzylpiperidin-1-ium-4-yl)amino]-3-oxopropyl]-N-cyclopropylpyrazine-2-carboxamide Traditional Name: N-[3-[(1-benzylpiperidin-1-ium-4-yl)amino]-3-keto-propyl]-N-cyclopropyl-pyrazinamide Formula: C23H30N5O2+ MolecularWeight: 408.5166

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1N(CCC(=O)NC2CC[NH+](CC2)CC3=CC=CC=C3)C(=O)C4=NC=CN=C4

Isomeric SMILES

C1CC1N(CCC(=O)NC2CC[NH+](CC2)CC3=CC=CC=C3)C(=O)C4=NC=CN=C4

InChI

InChI=1S/C23H29N5O2/c29-22(10-15-28(20-6-7-20)23(30)21-16-24-11-12-25-21)26-19-8-13-27(14-9-19)17-18-4-2-1-3-5-18/h1-5,11-12,16,19-20H,6-10,13-15,17H2,(H,26,29)/p+1