[3-methoxy-4-(3-methylbutoxy)phenyl]-(4-pyridin-1-ium-4-ylpiperazin-1-yl)methanone

Systemtic Name: [3-methoxy-4-(3-methylbutoxy)phenyl]-(4-pyridin-1-ium-4-ylpiperazin-1-yl)methanone Openeye Name: (4-isopentyloxy-3-methoxy-phenyl)-(4-pyridin-1-ium-4-ylpiperazin-1-yl)methanone CAS Name: [3-methoxy-4-(3-methylbutoxy)phenyl]-[4-(4-pyridin-1-iumyl)-1-piperazinyl]methanone IUPAC Name: [3-methoxy-4-(3-methylbutoxy)phenyl]-(4-pyridin-1-ium-4-ylpiperazin-1-yl)methanone Traditional Name: (4-isoamoxy-3-methoxy-phenyl)-(4-pyridin-1-ium-4-ylpiperazino)methanone Formula: C22H30N3O3+ MolecularWeight: 384.4919

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCOC1=C(C=C(C=C1)C(=O)N2CCN(CC2)C3=CC=[NH+]C=C3)OC

Isomeric SMILES

CC(C)CCOC1=C(C=C(C=C1)C(=O)N2CCN(CC2)C3=CC=[NH+]C=C3)OC

InChI

InChI=1S/C22H29N3O3/c1-17(2)8-15-28-20-5-4-18(16-21(20)27-3)22(26)25-13-11-24(12-14-25)19-6-9-23-10-7-19/h4-7,9-10,16-17H,8,11-15H2,1-3H3/p+1