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

Systemtic Name: [(3S)-3-[4-(4-methoxyphenyl)piperazin-1-ium-1-yl]piperidin-1-yl]-(oxan-4-yl)methanone Openeye Name: [(3S)-3-[4-(4-methoxyphenyl)piperazin-1-ium-1-yl]-1-piperidyl]-tetrahydropyran-4-yl-methanone CAS Name: [(3S)-3-[4-(4-methoxyphenyl)-1-piperazin-1-iumyl]-1-piperidinyl]-(4-oxanyl)methanone IUPAC Name: [(3S)-3-[4-(4-methoxyphenyl)piperazin-1-ium-1-yl]piperidin-1-yl]-(oxan-4-yl)methanone Traditional Name: [(3S)-3-[4-(4-methoxyphenyl)piperazin-1-ium-1-yl]piperidino]-tetrahydropyran-4-yl-methanone Formula: C22H34N3O3+ MolecularWeight: 388.52366

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)N2CC[NH+](CC2)C3CCCN(C3)C(=O)C4CCOCC4

Isomeric SMILES

COC1=CC=C(C=C1)N2CC[NH+](CC2)[C@H]3CCCN(C3)C(=O)C4CCOCC4

InChI

InChI=1S/C22H33N3O3/c1-27-21-6-4-19(5-7-21)23-11-13-24(14-12-23)20-3-2-10-25(17-20)22(26)18-8-15-28-16-9-18/h4-7,18,20H,2-3,8-17H2,1H3/p+1/t20-/m0/s1