6-azanyl-5-[(S)-(4-methoxyphenyl)-(4-phenylpiperazin-1-ium-1-yl)methyl]-1-propyl-pyrimidine-2,4-dione

Systemtic Name: 6-azanyl-5-[(S)-(4-methoxyphenyl)-(4-phenylpiperazin-1-ium-1-yl)methyl]-1-propyl-pyrimidine-2,4-dione Openeye Name: 6-amino-5-[(S)-(4-methoxyphenyl)-(4-phenylpiperazin-1-ium-1-yl)methyl]-1-propyl-pyrimidine-2,4-dione CAS Name: 6-amino-5-[(S)-(4-methoxyphenyl)-(4-phenyl-1-piperazin-1-iumyl)methyl]-1-propylpyrimidine-2,4-dione IUPAC Name: 6-amino-5-[(S)-(4-methoxyphenyl)-(4-phenylpiperazin-1-ium-1-yl)methyl]-1-propylpyrimidine-2,4-dione Traditional Name: 6-amino-5-[(S)-(4-methoxyphenyl)-(4-phenylpiperazin-1-ium-1-yl)methyl]-1-propyl-pyrimidine-2,4-quinone Formula: C25H32N5O3+ MolecularWeight: 450.55328

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=C(C(=O)NC1=O)C(C2=CC=C(C=C2)OC)[NH+]3CCN(CC3)C4=CC=CC=C4)N

Isomeric SMILES

CCCN1C(=C(C(=O)NC1=O)[C@H](C2=CC=C(C=C2)OC)[NH+]3CCN(CC3)C4=CC=CC=C4)N

InChI

InChI=1S/C25H31N5O3/c1-3-13-30-23(26)21(24(31)27-25(30)32)22(18-9-11-20(33-2)12-10-18)29-16-14-28(15-17-29)19-7-5-4-6-8-19/h4-12,22H,3,13-17,26H2,1-2H3,(H,27,31,32)/p+1/t22-/m0/s1