[(3S)-3-[4-(4-methoxyphenyl)piperazin-1-ium-1-yl]piperidin-1-yl]-quinoxalin-6-yl-methanone

Systemtic Name: [(3S)-3-[4-(4-methoxyphenyl)piperazin-1-ium-1-yl]piperidin-1-yl]-quinoxalin-6-yl-methanone Openeye Name: [(3S)-3-[4-(4-methoxyphenyl)piperazin-1-ium-1-yl]-1-piperidyl]-quinoxalin-6-yl-methanone CAS Name: [(3S)-3-[4-(4-methoxyphenyl)-1-piperazin-1-iumyl]-1-piperidinyl]-(6-quinoxalinyl)methanone IUPAC Name: [(3S)-3-[4-(4-methoxyphenyl)piperazin-1-ium-1-yl]piperidin-1-yl]-quinoxalin-6-ylmethanone Traditional Name: [(3S)-3-[4-(4-methoxyphenyl)piperazin-1-ium-1-yl]piperidino]-quinoxalin-6-yl-methanone Formula: C25H30N5O2+ MolecularWeight: 432.538

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)N2CC[NH+](CC2)C3CCCN(C3)C(=O)C4=CC5=NC=CN=C5C=C4

Isomeric SMILES

COC1=CC=C(C=C1)N2CC[NH+](CC2)[C@H]3CCCN(C3)C(=O)C4=CC5=NC=CN=C5C=C4

InChI

InChI=1S/C25H29N5O2/c1-32-22-7-5-20(6-8-22)28-13-15-29(16-14-28)21-3-2-12-30(18-21)25(31)19-4-9-23-24(17-19)27-11-10-26-23/h4-11,17,21H,2-3,12-16,18H2,1H3/p+1/t21-/m0/s1