[(3S)-3-[4-(2-methoxyphenyl)piperazin-1-ium-1-yl]piperidin-1-yl]-(1-oxidanidylpyridin-1-ium-4-yl)methanone

Systemtic Name: [(3S)-3-[4-(2-methoxyphenyl)piperazin-1-ium-1-yl]piperidin-1-yl]-(1-oxidanidylpyridin-1-ium-4-yl)methanone Openeye Name: [(3S)-3-[4-(2-methoxyphenyl)piperazin-1-ium-1-yl]-1-piperidyl]-(1-oxidopyridin-1-ium-4-yl)methanone CAS Name: [(3S)-3-[4-(2-methoxyphenyl)-1-piperazin-1-iumyl]-1-piperidinyl]-(1-oxido-4-pyridin-1-iumyl)methanone IUPAC Name: [(3S)-3-[4-(2-methoxyphenyl)piperazin-1-ium-1-yl]piperidin-1-yl]-(1-oxidopyridin-1-ium-4-yl)methanone Traditional Name: [(3S)-3-[4-(2-methoxyphenyl)piperazin-1-ium-1-yl]piperidino]-(1-oxidopyridin-1-ium-4-yl)methanone Formula: C22H29N4O3+ MolecularWeight: 397.49066

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1N2CC[NH+](CC2)C3CCCN(C3)C(=O)C4=CC=[N+](C=C4)[O-]

Isomeric SMILES

COC1=CC=CC=C1N2CC[NH+](CC2)[C@H]3CCCN(C3)C(=O)C4=CC=[N+](C=C4)[O-]

InChI

InChI=1S/C22H28N4O3/c1-29-21-7-3-2-6-20(21)24-15-13-23(14-16-24)19-5-4-10-25(17-19)22(27)18-8-11-26(28)12-9-18/h2-3,6-9,11-12,19H,4-5,10,13-17H2,1H3/p+1/t19-/m0/s1