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

Systemtic Name: 1-(4-methoxyphenyl)-4-[[(3S)-piperidin-1-ium-3-yl]methyl]piperazin-4-ium Openeye Name: 1-(4-methoxyphenyl)-4-[[(3S)-piperidin-1-ium-3-yl]methyl]piperazin-4-ium CAS Name: 1-(4-methoxyphenyl)-4-[[(3S)-3-piperidin-1-iumyl]methyl]piperazin-4-ium IUPAC Name: 1-(4-methoxyphenyl)-4-[[(3S)-piperidin-1-ium-3-yl]methyl]piperazin-4-ium Traditional Name: 1-(4-methoxyphenyl)-4-[[(3S)-piperidin-1-ium-3-yl]methyl]piperazin-4-ium Formula: C17H29N3O+2 MolecularWeight: 291.43166

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)N2CC[NH+](CC2)CC3CCC[NH2+]C3

Isomeric SMILES

COC1=CC=C(C=C1)N2CC[NH+](CC2)C[C@H]3CCC[NH2+]C3

InChI

InChI=1S/C17H27N3O/c1-21-17-6-4-16(5-7-17)20-11-9-19(10-12-20)14-15-3-2-8-18-13-15/h4-7,15,18H,2-3,8-14H2,1H3/p+2/t15-/m0/s1