2-(2-phenylindol-1-yl)-N-[3-(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)propyl]ethanamide

Systemtic Name: 2-(2-phenylindol-1-yl)-N-[3-(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)propyl]ethanamide Openeye Name: 2-(2-phenylindol-1-yl)-N-[3-(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)propyl]acetamide CAS Name: 2-(2-phenyl-1-indolyl)-N-[3-[4-(2-pyrimidinyl)-1-piperazin-1-iumyl]propyl]acetamide IUPAC Name: 2-(2-phenylindol-1-yl)-N-[3-(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)propyl]acetamide Traditional Name: 2-(2-phenylindol-1-yl)-N-[3-[4-(2-pyrimidyl)piperazin-1-ium-1-yl]propyl]acetamide Formula: C27H31N6O+ MolecularWeight: 455.57464

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CCCNC(=O)CN2C3=CC=CC=C3C=C2C4=CC=CC=C4)C5=NC=CC=N5

Isomeric SMILES

C1CN(CC[NH+]1CCCNC(=O)CN2C3=CC=CC=C3C=C2C4=CC=CC=C4)C5=NC=CC=N5

InChI

InChI=1S/C27H30N6O/c34-26(28-14-7-15-31-16-18-32(19-17-31)27-29-12-6-13-30-27)21-33-24-11-5-4-10-23(24)20-25(33)22-8-2-1-3-9-22/h1-6,8-13,20H,7,14-19,21H2,(H,28,34)/p+1