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

Systemtic Name: N-butyl-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-butyl-pyrazine-2-carboxamide CAS Name: N-butyl-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-butylpyrazine-2-carboxamide Traditional Name: N-[3-[(1-benzylpiperidin-1-ium-4-yl)amino]-3-keto-propyl]-N-butyl-pyrazinamide Formula: C24H34N5O2+ MolecularWeight: 424.55906

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN(CCC(=O)NC1CC[NH+](CC1)CC2=CC=CC=C2)C(=O)C3=NC=CN=C3

Isomeric SMILES

CCCCN(CCC(=O)NC1CC[NH+](CC1)CC2=CC=CC=C2)C(=O)C3=NC=CN=C3

InChI

InChI=1S/C24H33N5O2/c1-2-3-14-29(24(31)22-18-25-12-13-26-22)17-11-23(30)27-21-9-15-28(16-10-21)19-20-7-5-4-6-8-20/h4-8,12-13,18,21H,2-3,9-11,14-17,19H2,1H3,(H,27,30)/p+1