4-phenethyl-7-[(4-pyridin-3-yloxypiperidin-1-ium-1-yl)methyl]-3,5-dihydro-2H-1,4-benzoxazepine

Systemtic Name: 4-phenethyl-7-[(4-pyridin-3-yloxypiperidin-1-ium-1-yl)methyl]-3,5-dihydro-2H-1,4-benzoxazepine Openeye Name: 4-phenethyl-7-[[4-(3-pyridyloxy)piperidin-1-ium-1-yl]methyl]-3,5-dihydro-2H-1,4-benzoxazepine CAS Name: 4-phenethyl-7-[[4-(3-pyridinyloxy)-1-piperidin-1-iumyl]methyl]-3,5-dihydro-2H-1,4-benzoxazepine IUPAC Name: 4-phenethyl-7-[(4-pyridin-3-yloxypiperidin-1-ium-1-yl)methyl]-3,5-dihydro-2H-1,4-benzoxazepine Traditional Name: 4-phenethyl-7-[[4-(3-pyridyloxy)piperidin-1-ium-1-yl]methyl]-3,5-dihydro-2H-1,4-benzoxazepine Formula: C28H34N3O2+ MolecularWeight: 444.58846

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CCC1OC2=CN=CC=C2)CC3=CC4=C(C=C3)OCCN(C4)CCC5=CC=CC=C5

Isomeric SMILES

C1C[NH+](CCC1OC2=CN=CC=C2)CC3=CC4=C(C=C3)OCCN(C4)CCC5=CC=CC=C5

InChI

InChI=1S/C28H33N3O2/c1-2-5-23(6-3-1)10-14-31-17-18-32-28-9-8-24(19-25(28)22-31)21-30-15-11-26(12-16-30)33-27-7-4-13-29-20-27/h1-9,13,19-20,26H,10-12,14-18,21-22H2/p+1