1-[(3S)-1-[(8-methoxy-2H-chromen-3-yl)methyl]piperidin-1-ium-3-yl]-4-(4-methoxyphenyl)piperazine

Systemtic Name: 1-[(3S)-1-[(8-methoxy-2H-chromen-3-yl)methyl]piperidin-1-ium-3-yl]-4-(4-methoxyphenyl)piperazine Openeye Name: 1-[(3S)-1-[(8-methoxy-2H-chromen-3-yl)methyl]piperidin-1-ium-3-yl]-4-(4-methoxyphenyl)piperazine CAS Name: 1-[(3S)-1-[(8-methoxy-2H-1-benzopyran-3-yl)methyl]-3-piperidin-1-iumyl]-4-(4-methoxyphenyl)piperazine IUPAC Name: 1-[(3S)-1-[(8-methoxy-2H-chromen-3-yl)methyl]piperidin-1-ium-3-yl]-4-(4-methoxyphenyl)piperazine Traditional Name: 1-[(3S)-1-[(8-methoxy-2H-chromen-3-yl)methyl]piperidin-1-ium-3-yl]-4-(4-methoxyphenyl)piperazine Formula: C27H36N3O3+ MolecularWeight: 450.59304

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)N2CCN(CC2)C3CCC[NH+](C3)CC4=CC5=C(C(=CC=C5)OC)OC4

Isomeric SMILES

COC1=CC=C(C=C1)N2CCN(CC2)[C@H]3CCC[NH+](C3)CC4=CC5=C(C(=CC=C5)OC)OC4

InChI

InChI=1S/C27H35N3O3/c1-31-25-10-8-23(9-11-25)29-13-15-30(16-14-29)24-6-4-12-28(19-24)18-21-17-22-5-3-7-26(32-2)27(22)33-20-21/h3,5,7-11,17,24H,4,6,12-16,18-20H2,1-2H3/p+1/t24-/m0/s1