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

Systemtic Name: N-[6-azanyl-1-butyl-2,4-bis(oxidanylidene)pyrimidin-5-yl]-N-cyclopentyl-2-[4-(phenylmethyl)piperidin-1-ium-1-yl]ethanamide Openeye Name: N-(6-amino-1-butyl-2,4-dioxo-pyrimidin-5-yl)-2-(4-benzylpiperidin-1-ium-1-yl)-N-cyclopentyl-acetamide CAS Name: N-(6-amino-1-butyl-2,4-dioxo-5-pyrimidinyl)-N-cyclopentyl-2-[4-(phenylmethyl)-1-piperidin-1-iumyl]acetamide IUPAC Name: N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-2-(4-benzylpiperidin-1-ium-1-yl)-N-cyclopentylacetamide Traditional Name: N-(6-amino-1-butyl-2,4-diketo-pyrimidin-5-yl)-2-(4-benzylpiperidin-1-ium-1-yl)-N-cyclopentyl-acetamide Formula: C27H40N5O3+ MolecularWeight: 482.6382

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=C(C(=O)NC1=O)N(C2CCCC2)C(=O)C[NH+]3CCC(CC3)CC4=CC=CC=C4)N

Isomeric SMILES

CCCCN1C(=C(C(=O)NC1=O)N(C2CCCC2)C(=O)C[NH+]3CCC(CC3)CC4=CC=CC=C4)N

InChI

InChI=1S/C27H39N5O3/c1-2-3-15-31-25(28)24(26(34)29-27(31)35)32(22-11-7-8-12-22)23(33)19-30-16-13-21(14-17-30)18-20-9-5-4-6-10-20/h4-6,9-10,21-22H,2-3,7-8,11-19,28H2,1H3,(H,29,34,35)/p+1