N-[6-azanyl-2,4-bis(oxidanylidene)-1-propyl-pyrimidin-5-yl]-N-butyl-2-[4-(phenylmethyl)piperidin-1-ium-1-yl]ethanamide

Systemtic Name: N-[6-azanyl-2,4-bis(oxidanylidene)-1-propyl-pyrimidin-5-yl]-N-butyl-2-[4-(phenylmethyl)piperidin-1-ium-1-yl]ethanamide Openeye Name: N-(6-amino-2,4-dioxo-1-propyl-pyrimidin-5-yl)-2-(4-benzylpiperidin-1-ium-1-yl)-N-butyl-acetamide CAS Name: N-(6-amino-2,4-dioxo-1-propyl-5-pyrimidinyl)-N-butyl-2-[4-(phenylmethyl)-1-piperidin-1-iumyl]acetamide IUPAC Name: N-(6-amino-2,4-dioxo-1-propylpyrimidin-5-yl)-2-(4-benzylpiperidin-1-ium-1-yl)-N-butylacetamide Traditional Name: N-(6-amino-2,4-diketo-1-propyl-pyrimidin-5-yl)-2-(4-benzylpiperidin-1-ium-1-yl)-N-butyl-acetamide Formula: C25H38N5O3+ MolecularWeight: 456.60092

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN(C1=C(N(C(=O)NC1=O)CCC)N)C(=O)C[NH+]2CCC(CC2)CC3=CC=CC=C3

Isomeric SMILES

CCCCN(C1=C(N(C(=O)NC1=O)CCC)N)C(=O)C[NH+]2CCC(CC2)CC3=CC=CC=C3

InChI

InChI=1S/C25H37N5O3/c1-3-5-14-29(22-23(26)30(13-4-2)25(33)27-24(22)32)21(31)18-28-15-11-20(12-16-28)17-19-9-7-6-8-10-19/h6-10,20H,3-5,11-18,26H2,1-2H3,(H,27,32,33)/p+1