(5S)-5-[[1-(phenylmethyl)piperidin-1-ium-4-yl]iminomethyl]-1-prop-2-enyl-2-sulfanylidene-1,3-diazinane-4,6-dione

Systemtic Name: (5S)-5-[[1-(phenylmethyl)piperidin-1-ium-4-yl]iminomethyl]-1-prop-2-enyl-2-sulfanylidene-1,3-diazinane-4,6-dione Openeye Name: (5S)-1-allyl-5-[(1-benzylpiperidin-1-ium-4-yl)iminomethyl]-2-thioxo-hexahydropyrimidine-4,6-dione CAS Name: (5S)-5-[[1-(phenylmethyl)-4-piperidin-1-iumyl]iminomethyl]-1-prop-2-enyl-2-sulfanylidene-1,3-diazinane-4,6-dione IUPAC Name: (5S)-5-[(1-benzylpiperidin-1-ium-4-yl)iminomethyl]-1-prop-2-enyl-2-sulfanylidene-1,3-diazinane-4,6-dione Traditional Name: (5S)-1-allyl-5-[(1-benzylpiperidin-1-ium-4-yl)iminomethyl]-2-thioxo-hexahydropyrimidine-4,6-quinone Formula: C20H25N4O2S+ MolecularWeight: 385.5031

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Descriptors Computed from Structure

Canonical SMILES:

C=CCN1C(=O)C(C(=O)NC1=S)C=NC2CC[NH+](CC2)CC3=CC=CC=C3

Isomeric SMILES

C=CCN1C(=O)[C@H](C(=O)NC1=S)C=NC2CC[NH+](CC2)CC3=CC=CC=C3

InChI

InChI=1S/C20H24N4O2S/c1-2-10-24-19(26)17(18(25)22-20(24)27)13-21-16-8-11-23(12-9-16)14-15-6-4-3-5-7-15/h2-7,13,16-17H,1,8-12,14H2,(H,22,25,27)/p+1/t17-/m0/s1