3-(diphenylmethyl)oxy-1,3-dimethyl-8-piperidin-1-yl-7-propyl-purin-3-ium-2,6-dione

Systemtic Name: 3-(diphenylmethyl)oxy-1,3-dimethyl-8-piperidin-1-yl-7-propyl-purin-3-ium-2,6-dione Openeye Name: 3-benzhydryloxy-1,3-dimethyl-8-(1-piperidyl)-7-propyl-purin-3-ium-2,6-dione CAS Name: 3-(diphenylmethyl)oxy-1,3-dimethyl-8-(1-piperidinyl)-7-propylpurin-3-ium-2,6-dione IUPAC Name: 3-benzhydryloxy-1,3-dimethyl-8-piperidin-1-yl-7-propylpurin-3-ium-2,6-dione Traditional Name: 3-benzhydryloxy-1,3-dimethyl-8-piperidino-7-propyl-purin-3-ium-2,6-quinone Formula: C28H34N5O3+ MolecularWeight: 488.60126

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C2=C(N=C1N3CCCCC3)[N+](C(=O)N(C2=O)C)(C)OC(C4=CC=CC=C4)C5=CC=CC=C5

Isomeric SMILES

CCCN1C2=C(N=C1N3CCCCC3)[N+](C(=O)N(C2=O)C)(C)OC(C4=CC=CC=C4)C5=CC=CC=C5

InChI

InChI=1S/C28H34N5O3/c1-4-18-32-23-25(29-27(32)31-19-12-7-13-20-31)33(3,28(35)30(2)26(23)34)36-24(21-14-8-5-9-15-21)22-16-10-6-11-17-22/h5-6,8-11,14-17,24H,4,7,12-13,18-20H2,1-3H3/q+1