piperidin-1-yl-[1-[(2,3,4-trimethoxyphenyl)methyl]piperidin-1-ium-3-yl]methanone

Systemtic Name: piperidin-1-yl-[1-[(2,3,4-trimethoxyphenyl)methyl]piperidin-1-ium-3-yl]methanone Openeye Name: 1-piperidyl-[1-[(2,3,4-trimethoxyphenyl)methyl]piperidin-1-ium-3-yl]methanone CAS Name: 1-piperidinyl-[1-[(2,3,4-trimethoxyphenyl)methyl]-3-piperidin-1-iumyl]methanone IUPAC Name: piperidin-1-yl-[1-[(2,3,4-trimethoxyphenyl)methyl]piperidin-1-ium-3-yl]methanone Traditional Name: piperidino-[1-(2,3,4-trimethoxybenzyl)piperidin-1-ium-3-yl]methanone Formula: C21H33N2O4+ MolecularWeight: 377.49772

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=C(C=C1)C[NH+]2CCCC(C2)C(=O)N3CCCCC3)OC)OC

Isomeric SMILES

COC1=C(C(=C(C=C1)C[NH+]2CCCC(C2)C(=O)N3CCCCC3)OC)OC

InChI

InChI=1S/C21H32N2O4/c1-25-18-10-9-16(19(26-2)20(18)27-3)14-22-11-7-8-17(15-22)21(24)23-12-5-4-6-13-23/h9-10,17H,4-8,11-15H2,1-3H3/p+1