2-[5-[2-[4-(aminomethyl)phenyl]phenyl]-1-pentanoyl-1,2,3,4-tetrazol-1-ium-1-yl]-3-methyl-1-morpholin-4-yl-butan-1-one

Systemtic Name: 2-[5-[2-[4-(aminomethyl)phenyl]phenyl]-1-pentanoyl-1,2,3,4-tetrazol-1-ium-1-yl]-3-methyl-1-morpholin-4-yl-butan-1-one Openeye Name: 2-[5-[2-[4-(aminomethyl)phenyl]phenyl]-1-pentanoyl-tetrazol-1-ium-1-yl]-3-methyl-1-morpholino-butan-1-one CAS Name: 2-[5-[2-[4-(aminomethyl)phenyl]phenyl]-1-(1-oxopentyl)-1-tetrazol-1-iumyl]-3-methyl-1-(4-morpholinyl)-1-butanone IUPAC Name: 2-[5-[2-[4-(aminomethyl)phenyl]phenyl]-1-pentanoyltetrazol-1-ium-1-yl]-3-methyl-1-morpholin-4-ylbutan-1-one Traditional Name: 2-[5-[2-[4-(aminomethyl)phenyl]phenyl]-1-valeryl-tetrazol-1-ium-1-yl]-3-methyl-1-morpholino-butan-1-one Formula: C28H37N6O3+ MolecularWeight: 505.63178

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(=O)[N+]1(C(=NN=N1)C2=CC=CC=C2C3=CC=C(C=C3)CN)C(C(C)C)C(=O)N4CCOCC4

Isomeric SMILES

CCCCC(=O)[N+]1(C(=NN=N1)C2=CC=CC=C2C3=CC=C(C=C3)CN)C(C(C)C)C(=O)N4CCOCC4

InChI

InChI=1S/C28H37N6O3/c1-4-5-10-25(35)34(26(20(2)3)28(36)33-15-17-37-18-16-33)27(30-31-32-34)24-9-7-6-8-23(24)22-13-11-21(19-29)12-14-22/h6-9,11-14,20,26H,4-5,10,15-19,29H2,1-3H3/q+1