1,3-bis[(2R)-2-(4-methoxyphenyl)-2-piperidin-1-ium-1-yl-ethyl]urea

Systemtic Name: 1,3-bis[(2R)-2-(4-methoxyphenyl)-2-piperidin-1-ium-1-yl-ethyl]urea Openeye Name: 1,3-bis[(2R)-2-(4-methoxyphenyl)-2-piperidin-1-ium-1-yl-ethyl]urea CAS Name: 1,3-bis[(2R)-2-(4-methoxyphenyl)-2-(1-piperidin-1-iumyl)ethyl]urea IUPAC Name: 1,3-bis[(2R)-2-(4-methoxyphenyl)-2-piperidin-1-ium-1-ylethyl]urea Traditional Name: 1,3-bis[(2R)-2-(4-methoxyphenyl)-2-piperidin-1-ium-1-yl-ethyl]urea Formula: C29H44N4O3+2 MolecularWeight: 496.68466

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C(CNC(=O)NCC(C2=CC=C(C=C2)OC)[NH+]3CCCCC3)[NH+]4CCCCC4

Isomeric SMILES

COC1=CC=C(C=C1)[C@H](CNC(=O)NC[C@@H](C2=CC=C(C=C2)OC)[NH+]3CCCCC3)[NH+]4CCCCC4

InChI

InChI=1S/C29H42N4O3/c1-35-25-13-9-23(10-14-25)27(32-17-5-3-6-18-32)21-30-29(34)31-22-28(33-19-7-4-8-20-33)24-11-15-26(36-2)16-12-24/h9-16,27-28H,3-8,17-22H2,1-2H3,(H2,30,31,34)/p+2/t27-,28-/m0/s1