N-[3-[3-[(2S)-2-methylpiperidin-1-ium-1-yl]propylamino]-3-oxidanylidene-propyl]-N-(phenylmethyl)pyrazine-2-carboxamide

Systemtic Name: N-[3-[3-[(2S)-2-methylpiperidin-1-ium-1-yl]propylamino]-3-oxidanylidene-propyl]-N-(phenylmethyl)pyrazine-2-carboxamide Openeye Name: N-benzyl-N-[3-[3-[(2S)-2-methylpiperidin-1-ium-1-yl]propylamino]-3-oxo-propyl]pyrazine-2-carboxamide CAS Name: N-[3-[3-[(2S)-2-methyl-1-piperidin-1-iumyl]propylamino]-3-oxopropyl]-N-(phenylmethyl)-2-pyrazinecarboxamide IUPAC Name: N-benzyl-N-[3-[3-[(2S)-2-methylpiperidin-1-ium-1-yl]propylamino]-3-oxopropyl]pyrazine-2-carboxamide Traditional Name: N-benzyl-N-[3-keto-3-[3-[(2S)-2-methylpiperidin-1-ium-1-yl]propylamino]propyl]pyrazinamide Formula: C24H34N5O2+ MolecularWeight: 424.55906

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCC[NH+]1CCCNC(=O)CCN(CC2=CC=CC=C2)C(=O)C3=NC=CN=C3

Isomeric SMILES

C[C@H]1CCCC[NH+]1CCCNC(=O)CCN(CC2=CC=CC=C2)C(=O)C3=NC=CN=C3

InChI

InChI=1S/C24H33N5O2/c1-20-8-5-6-15-28(20)16-7-12-27-23(30)11-17-29(19-21-9-3-2-4-10-21)24(31)22-18-25-13-14-26-22/h2-4,9-10,13-14,18,20H,5-8,11-12,15-17,19H2,1H3,(H,27,30)/p+1/t20-/m0/s1