N-cyclopropyl-2-ethyl-5-(4-methoxyphenyl)-7-propyl-1,3-benzoxazol-3-ium-3-carboxamide

Systemtic Name: N-cyclopropyl-2-ethyl-5-(4-methoxyphenyl)-7-propyl-1,3-benzoxazol-3-ium-3-carboxamide Openeye Name: N-cyclopropyl-2-ethyl-5-(4-methoxyphenyl)-7-propyl-1,3-benzoxazol-3-ium-3-carboxamide CAS Name: N-cyclopropyl-2-ethyl-5-(4-methoxyphenyl)-7-propyl-1,3-benzoxazol-3-ium-3-carboxamide IUPAC Name: N-cyclopropyl-2-ethyl-5-(4-methoxyphenyl)-7-propyl-1,3-benzoxazol-3-ium-3-carboxamide Traditional Name: N-cyclopropyl-2-ethyl-5-(4-methoxyphenyl)-7-propyl-1,3-benzoxazol-3-ium-3-carboxamide Formula: C23H27N2O3+ MolecularWeight: 379.47208

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C2C(=CC(=C1)C3=CC=C(C=C3)OC)[N+](=C(O2)CC)C(=O)NC4CC4

Isomeric SMILES

CCCC1=C2C(=CC(=C1)C3=CC=C(C=C3)OC)[N+](=C(O2)CC)C(=O)NC4CC4

InChI

InChI=1S/C23H26N2O3/c1-4-6-16-13-17(15-7-11-19(27-3)12-8-15)14-20-22(16)28-21(5-2)25(20)23(26)24-18-9-10-18/h7-8,11-14,18H,4-6,9-10H2,1-3H3/p+1